SCHEMBL449945

SCHEMBL449945

O=C1OCNc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
ALDH1A1 P00352 1/20 0.39
PDGFRA P16234 1/20 0.39
FER P16591 1/20 0.39
LTK P29376 1/20 0.39
CDK8 P49336 1/20 0.39
ACVR1 Q04771 1/20 0.39
LRRK2 Q5S007 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
NOS2 P35228 1/20 0.38
TSHR P16473 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GSK3B P49841 1/20 0.36
PDE7A Q13946 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8144413 0.79 MAOA (0.41) MAOAMAOBALDH1A1PDGFRAFER
SCHEMBL22871677 0.76 MAOA (0.41) MAOAMAOBALDH1A1L3MBTL1GSK3B
SCHEMBL8645699 0.71 MAOA (0.50) MAOAMAOBALDH1A1PDGFRAFER
SCHEMBL335978 0.70
SCHEMBL27872 0.70
SCHEMBL3849368 0.69 CYP1A2 (0.47) MAOAMAOBALDH1A1ALOX15TDP1
SCHEMBL292758 0.69 TDP1 (0.41) ALDH1A1ALOX15TDP1GSK3BCYP1A2
SCHEMBL68595 0.68 CA12 (0.45) MAOAMAOBALDH1A1PDGFRAFER
SCHEMBL14931858 0.68 DAO (0.46) MAOAMAOBALDH1A1CA12CA9
SCHEMBL16787375 0.68 PARP1 (0.42) MAOAMAOBALDH1A1L3MBTL1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109516963-A A method of preparing 1,2- dihydro-(4H) -3,1- benzoxazin-4-one compound 上海交通大学 2019-03-26 CN claimed
WO-2013126156-A1 NITRIC OXIDE DONATING SELECTIVE GLUCOCORTICOID RECEPTOR AGONIST COMPOUNDS AND OPHTHALMIC COMPOSITIONS BAUSCH & LOMB INCORPORATED (US) 2013-08-29 WO claimed
EP-2454244-A1 AN IMPROVED PROCESS FOR PREPARATION OF EFAVIRENZ Lupin Limited (IN) 2012-05-23 EP claimed
WO-2011007367-A1 AN IMPROVED PROCESS FOR PREPARATION OF EFAVIRENZ LUPIN LIMITED (IN) 2011-01-20 WO claimed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US claimed
EP-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP claimed
EP-2049112-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS Bausch & Lomb Incorporated (US) 2009-04-22 EP claimed
US-20090087443-A1 Pharmacological Adjunctive Treatment Associated with Glaucoma Filtration Surgery BAUSCH HEALTH HOLDCO LIMITED (IE) 2009-04-02 US claimed
US-20080171873-A1 Synthesis of selected stereoisomers of certain substituted alcohols BAUSCH & LOMB INCORPORATED 2008-07-17 US claimed
US-20080064721-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy BAUSCH & LOMB INCORPORATED 2008-03-13 US claimed
US-20080058373-A1 Compositions and Methods for Treating or Preventing Glaucoma or Progression Thereof VRX HOLDCO LLC 2008-03-06 US claimed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO claimed
WO-2008021728-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED' GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO claimed
US-20080031884-A1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH HEALTH US, LLC 2008-02-07 US claimed
US-20080033008-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFECTIONS AND SEQUELAE THEREOF BAUSCH HEALTH COMPANIES INC. (CA) 2008-02-07 US claimed
US-20080009437-A1 Pharmaceutical Compositions and Method for Treating Dry Eye SALIX PHARMACEUTICALS, INC. 2008-01-10 US claimed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP claimed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US claimed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO claimed
WO-2023141114-A2 SYNTHESIS OF BORON-CONTAINING AMIDOXIME REAGENTS AND THEIR APPLICATION TO SYNTHESIZE FUNCTIONALIZED OXADIAZOLE AND QUINAZOLINONE DERIVATIVES LONG ISLAND UNIVERSITY (US) 2023-07-27 WO disclosed
CN-109516963-B Method for preparing 1, 2-dihydro- (4H) -3, 1-benzoxazine-4-one compound 上海交通大学 2022-07-01 CN disclosed
CN-109516963-B Method for preparing 1, 2-dihydro- (4H) -3, 1-benzoxazine-4-one compound 上海交通大学 2022-07-01 CN disclosed
WO-2020225330-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS UNIVERSITÄT HAMBURG (DE) 2020-11-12 WO disclosed
CN-109516963-A A method of preparing 1,2- dihydro-(4H) -3,1- benzoxazin-4-one compound 上海交通大学 2019-03-26 CN disclosed
CN-109516963-A A method of preparing 1,2- dihydro-(4H) -3,1- benzoxazin-4-one compound 上海交通大学 2019-03-26 CN disclosed
CN-109516963-A A method of preparing 1,2- dihydro-(4H) -3,1- benzoxazin-4-one compound 上海交通大学 2019-03-26 CN disclosed
CN-105541745-B 1- (fragrant amino ethyl) -2- aryl -3,1- benzoxazine compounds and its preparation and use with bactericidal activity 湖南科技大学 2018-05-04 CN disclosed
CN-105541745-A 1-(aryl-aminoethyl)-2-aryl-3,1-benzoxazine compound with bactericidal activity and preparation method and application thereof UNIV HUNAN SCI & TECHNOLOGY 2016-05-04 CN disclosed
WO-2013126156-A1 NITRIC OXIDE DONATING SELECTIVE GLUCOCORTICOID RECEPTOR AGONIST COMPOUNDS AND OPHTHALMIC COMPOSITIONS BAUSCH & LOMB INCORPORATED (US) 2013-08-29 WO disclosed
EP-2056799-B1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF BAUSCH & LOMB (US) 2013-07-31 EP disclosed
EP-2203160-B1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY BAUSCH & LOMB (US) 2013-07-17 EP disclosed
EP-2190431-B1 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION BAUSCH & LOMB (US) 2013-07-03 EP disclosed
EP-2591673-A1 PEST CONTROL AGENT Meiji Seika Pharma Co., Ltd. (JP) 2013-05-15 EP disclosed
EP-2364707-B1 Compositions and methods for treating, controlling, reducing, or ameliorating infections and sequelae thereof BAUSCH & LOMB (US) 2013-04-03 EP disclosed
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN SOLTA MEDICAL IRELAND LIMITED (IE) 2012-12-13 US disclosed
US-20120065228-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING OCULAR INFLAMMATORY WITH LOWER RISK OF INCREASED INTRAOCULAR PRESSURE SOLTA MEDICAL, INC. 2012-03-15 US disclosed
EP-2397140-A1 Compositions and methods for treating or preventing glaucoma or progression thereof BAUSCH & LOMB INCORPORATED (US) 2011-12-21 EP disclosed
US-20110281882-A1 Compositions and Methods for Treating, Controlling, Reducing, or Ameliorating Inflammatory Pain 1261229 B.C. LTD. (CA) 2011-11-17 US disclosed
US-20110137038-A1 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS BAUSCH & LOMB INCORPORATED 2011-06-09 US disclosed
US-20110104159-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH+LOMB OPS B.V. (NL) 2011-05-05 US disclosed
US-20110105559-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy WP PRISM INC. (N/K/A BAUSCH & LOMB HOLDINGS INC.) 2011-05-05 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-20090087443-A1 Pharmacological Adjunctive Treatment Associated with Glaucoma Filtration Surgery BAUSCH HEALTH HOLDCO LIMITED (IE) 2009-04-02 US disclosed
US-20090042936-A1 Compositions and Methods for Treating or Controlling Anterior-Segment Inflammation ORAPHARMA, INC. 2009-02-12 US disclosed
US-20080171873-A1 Synthesis of selected stereoisomers of certain substituted alcohols BAUSCH & LOMB INCORPORATED 2008-07-17 US disclosed
US-20080114172-A1 Synthesis of Selected Stereoisomers of Certain Substituted Alcohols BAUSCH & LOMB INCORPORATED 2008-05-15 US disclosed
US-20080064721-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy BAUSCH & LOMB INCORPORATED 2008-03-13 US disclosed
US-20080058373-A1 Compositions and Methods for Treating or Preventing Glaucoma or Progression Thereof VRX HOLDCO LLC 2008-03-06 US disclosed
US-20080031884-A1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH HEALTH US, LLC 2008-02-07 US disclosed
US-20080033008-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFECTIONS AND SEQUELAE THEREOF BAUSCH HEALTH COMPANIES INC. (CA) 2008-02-07 US disclosed
US-20080009437-A1 Pharmaceutical Compositions and Method for Treating Dry Eye SALIX PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 US disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US disclosed
EP-1339702-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-09-03 EP disclosed
WO-2001068619-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEX INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-20 WO disclosed
EP-0805790-B1 IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE MERCK & CO INC (US) 1999-11-24 EP disclosed
WO-1994003440-A1 BENZOXAZINONES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1994-02-17 WO disclosed
US-4894374-A ANTIINFLAMMATORY AGENTS, ENZYME TISSUE DESTRUCTION, INTERLEUKIN INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-16 US disclosed
US-4894374-A ANTIINFLAMMATORY AGENTS, ENZYME TISSUE DESTRUCTION, INTERLEUKIN INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-16 US disclosed
US-4894374-A ANTIINFLAMMATORY AGENTS, ENZYME TISSUE DESTRUCTION, INTERLEUKIN INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R MAOA 136/4885MAOB 197/4885ALDH1A1 3499/4885
US-20110281882-A1 Compositions and Methods for Treating, Controlling, Reducing, or Ameliorating Inflammatory Pain PTGIR, MC2R, NR3C1 MAOA 2520/4885MAOB 3413/4885ALDH1A1 2534/4885
US-20080033008-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFECTIONS AND SEQUELAE THEREOF NR3C1, GNRHR, GSR MAOA 1538/4885MAOB 2625/4885ALDH1A1 3717/4885
US-20110104159-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY CYSLTR1, LTB4R, CYSLTR2 MAOA 893/4885MAOB 1881/4885ALDH1A1 2165/4885
US-20090042936-A1 Compositions and Methods for Treating or Controlling Anterior-Segment Inflammation NR3C1, GCGR, GNRHR MAOA 2796/4885MAOB 4090/4885ALDH1A1 3800/4885
US-20080114172-A1 Synthesis of Selected Stereoisomers of Certain Substituted Alcohols ADH1A, ADH1C, CYP2E1 MAOA 862/4885MAOB 1044/4885ALDH1A1 111/4885
US-20080031884-A1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES PTGIR, GCGR, NR3C1 MAOA 2437/4885MAOB 3425/4885ALDH1A1 3649/4885
US-20110137038-A1 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS ADH1A, ADH1C, CYP2E1 MAOA 862/4885MAOB 1044/4885ALDH1A1 111/4885
US-20080009437-A1 Pharmaceutical Compositions and Method for Treating Dry Eye NR3C1, GCGR, GPBAR1 MAOA 1335/4885MAOB 2104/4885ALDH1A1 2893/4885
US-20110105559-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy CYSLTR1, LTB4R, CYSLTR2 MAOA 893/4885MAOB 1881/4885ALDH1A1 2165/4885
US-20080058373-A1 Compositions and Methods for Treating or Preventing Glaucoma or Progression Thereof PTGIR, PTGDR, NR3C1 MAOA 2057/4885MAOB 2742/4885ALDH1A1 2473/4885
US-20080171873-A1 Synthesis of selected stereoisomers of certain substituted alcohols ADH1A, ADH1C, ADH5 MAOA 735/4885MAOB 757/4885ALDH1A1 17/4885
US-20120065228-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING OCULAR INFLAMMATORY WITH LOWER RISK OF INCREASED INTRAOCULAR PRESSURE PTGIR, NR3C1, PTGDR MAOA 2616/4885MAOB 3261/4885ALDH1A1 3040/4885
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R MAOA 2744/4885MAOB 2962/4885ALDH1A1 2975/4885
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN PTGIR, MC2R, NR3C1 MAOA 2520/4885MAOB 3413/4885ALDH1A1 2534/4885
US-20090087443-A1 Pharmacological Adjunctive Treatment Associated with Glaucoma Filtration Surgery TGFBR1, TGFBR2, PTGIR MAOA 2545/4885MAOB 2027/4885ALDH1A1 2498/4885
US-20080064721-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy CYSLTR1, LTB4R, CYSLTR2 MAOA 893/4885MAOB 1881/4885ALDH1A1 2165/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.