SCHEMBL864159

SCHEMBL864159

[c]1ccc(OCc2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PARP10 Q53GL7 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
KCNH2 Q12809 1/20 0.48
HPGD P15428 1/20 0.46
SYK P43405 8/20 0.44
AURKB Q96GD4 2/20 0.44
INCENP Q9NQS7 2/20 0.44
ABCB1 P08183 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL6445371 0.84 KCNH2 (0.67) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL3160862 0.82 HPGD (0.48) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1312722 0.81 SMN1; SMN2 (0.62) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL3163407 0.81 CYP2D6 (0.56) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL919647 0.81 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
Water SCHEMBL9719872 0.80 PARP10 (0.62) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL22874534 0.79 PARP10 (0.66) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL1680670 0.79 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL30689371 0.79 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL7208861 0.79 KCNH2 (0.42) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2

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 78 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP claimed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN claimed
EP-3323816-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2019-07-03 EP claimed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP claimed
CN-103717588-B Pyrazole derivatives 绿色科技株式会社 2016-08-03 CN claimed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US claimed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US claimed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP claimed
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP claimed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO claimed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US claimed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US claimed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP claimed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO claimed
US-6608104-B2 Antiarthritic agents; anticancer agents PFIZER INC 2003-08-19 US claimed
US-20020019534-A1 Gem substituted hydroxamic acids PFIZER INC. 2002-02-14 US claimed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP disclosed
EP-3765482-A1 NTCP INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2021-01-20 EP disclosed
WO-2021006267-A1 SALT OF PYRAZOLE DERIVATIVE AND PREPARATION OF PYRAZOLE DERIVATIVE グリーン・テック株式会社 2021-01-14 WO disclosed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US disclosed
WO-2020235582-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR MOTOR NEURON DISEASE グリーン・テック株式会社 (JP) 2020-11-26 WO disclosed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN disclosed
WO-2019196953-A1 NTCP INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-10-17 WO disclosed
EP-3323816-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2019-07-03 EP disclosed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
US-20180132516-A1 POSITIVE ALLOSTERIC MODULATORS OF SWEET TASTE SENSORYGEN INC (US) 2018-05-17 US disclosed
CN-103717588-B Pyrazole derivatives 绿色科技株式会社 2016-08-03 CN disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US disclosed
CN-104119350-A Amino quinazoline derivatives as well as salts and application method thereof GUANGDONG HEC PHARMACEUTICAL 2014-10-29 CN disclosed
EP-2791121-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-10-22 EP disclosed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US disclosed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP disclosed
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
WO-2013090227-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-20 WO disclosed
CN-101300250-B Heterocyclic substituted pyridine derivative and antifungal agent containing the same EISAI R&D MAN CO LTD 2012-09-05 CN disclosed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
CN-101668767-A Pyridine derivatives substituted with heterocyclic ring and phosphonoamino group and antifungal agent containing the same EISAI R&D MAN CO LTD 2010-03-10 CN disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
CN-101300250-A Heterocyclic substituted pyridine derivative and antifungal agent containing the same EISAI R&D MAN CO LTD (JP) 2008-11-05 CN disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO disclosed
CN-101039938-A Diphenyl substituted alkanes as flap inhibitors MERCK & CO INC (US) 2007-09-19 CN disclosed
EP-1780212-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE Teijin Pharma Limited (JP) 2007-05-02 EP disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
CN-1809570-A [1,2,4] triazolo [1, 5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK (JP) 2006-07-26 CN disclosed
US-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives TEIJIN PHARMA LIMITED 2006-06-22 US disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-6608104-B2 Antiarthritic agents; anticancer agents PFIZER INC 2003-08-19 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
US-20020019534-A1 Gem substituted hydroxamic acids PFIZER INC. 2002-02-14 US disclosed
EP-1138680-A1 Gem substituted sulfonyl hydroxamic acids as MMP inhibitors Pfizer Products Inc. (US) 2001-10-04 EP disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5935976-A Antiviral ethers of aspartate protease substrate isosteres NOVARTIS CORPORATION (US) 1999-08-10 US disclosed
US-5847218-A Sulfonium salts and chemically amplified positive resist compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-12-08 US disclosed
US-5831094-A RETROVIRUS MERRELL PHARAMCEUTICALS INC. (US) 1998-11-03 US disclosed
US-5807891-A RETROVIRUSES NOVARTIS AG (CH) 1998-09-15 US disclosed
US-5663200-A CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
CN-1132756-A Antiviral ethers of aspartate protease substrate isosteres CIBA GEIGY AG (CH) 1996-10-09 CN disclosed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP disclosed
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP 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 (10 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX KDM4E 2045/4885ALDH1A1 3801/4885SMN1; SMN2 4766/4885
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 KDM4E 2344/4885ALDH1A1 208/4885SMN1; SMN2 3178/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 KDM4E 3657/4885ALDH1A1 2743/4885SMN1; SMN2 4796/4885
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL KDM4E 2380/4885ALDH1A1 1486/4885SMN1; SMN2 1566/4885
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 KDM4E 3193/4885ALDH1A1 675/4885SMN1; SMN2 1138/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 KDM4E 1391/4885ALDH1A1 631/4885SMN1; SMN2 4688/4885
US-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 KDM4E 2569/4885ALDH1A1 1443/4885SMN1; SMN2 2083/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 KDM4E 3733/4885ALDH1A1 4326/4885SMN1; SMN2 4604/4885
US-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives MAPKAPK2, MAPKAPK5, MAP4K2 KDM4E 1889/4885ALDH1A1 2845/4885SMN1; SMN2 3512/4885
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE KDM4E 213/4885ALDH1A1 779/4885SMN1; SMN2 4361/4885

“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.