SCHEMBL436160

SCHEMBL436160

Cc1cccc2c1CCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.46
ACHE P22303 1/20 0.44
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
HTR2C P28335 9/20 0.37
HTR2A P28223 7/20 0.37
HTR2B P41595 7/20 0.37
HTR1A P08908 6/20 0.37
HTR1D P28221 5/20 0.37
LMNA P02545 2/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
HTR6 P50406 2/20 0.36

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
SCHEMBL8081108 0.89 MAP3K14 (0.47) MAP3K14ITGB2ICAM1ITGALMTNR1A
SCHEMBL30485719 0.89 MAP3K14 (0.47) MAP3K14ITGB2ICAM1ITGALMTNR1A
SCHEMBL25880677 0.82 SMN1; SMN2 (0.52) MAP3K14ITGB2ICAM1ITGALMTNR1A
SCHEMBL31394887 0.78 ITGB2 (0.39) MAP3K14ACHEITGB2ICAM1ITGAL
SCHEMBL6584559 0.78 ITGB2 (0.39) MAP3K14ACHEITGB2ICAM1ITGAL
SCHEMBL5673196 0.78 BCL2L1 (0.48) MAP3K14ITGB2ICAM1ITGALMTNR1A
SCHEMBL139722 0.78 ACHE (0.45) MAP3K14ACHEITGB2ICAM1ITGAL
SCHEMBL20870690 0.78 ITGB2 (0.39) MAP3K14ACHEITGB2ICAM1ITGAL
SCHEMBL2481284 0.78 ACHE (0.40) ACHEITGB2ICAM1ITGALMTNR1A
SCHEMBL31598947 0.78 BCL2L1 (0.48) MAP3K14ITGB2ICAM1ITGALMTNR1A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
EP-3490984-B1 2-PYRROLIDINE PHENYLHYDRAZIDES ANTIBACTERIAL AGENTS Abac Therapeutics Sl (ES) 2020-09-09 EP disclosed
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-9617255-B2 Organic electroluminescent element, and illumination device and display device each comprising the element Konica Minolta, Inc. (JP) 2017-04-11 US disclosed
EP-3144311-A1 TRICYCLIC HETEROCYCLIC DERIVATIVE HAVING HIV REPLICATION-INHIBITING EFFECT Shionogi & Co., Ltd. (JP) 2017-03-22 EP disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO disclosed
US-20100045171-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, LIGHTING DEVICE AND DISPLAY DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2010-02-25 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-20070196690-A1 Organic electroluminescent element material, organic electroluminescent element, display device and lighting device KONICA MINOLTA HOLDINGS, INC. (JP) 2007-08-23 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
CN-1860112-A 3-amino chroman and 2-amino tetralin derivatives WYETH CORP (US) 2006-11-08 CN 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 (4 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-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors PDE3B, PDE4B, PDE4A MAP3K14 1874/4885ACHE 32/4885ITGB2 4498/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 MAP3K14 2526/4885ACHE 4615/4885ITGB2 4078/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A MAP3K14 1874/4885ACHE 32/4885ITGB2 4498/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A MAP3K14 1874/4885ACHE 32/4885ITGB2 4498/4885

“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.