SCHEMBL4309752

SCHEMBL4309752

COc1ccc(C#N)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL702716 0.86 PRKAB2 (0.51) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8324473 0.85 NPC1 (0.47) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8324669 0.85 PARP1 (0.49) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4316682 0.85 CYP1A2 (0.56) SMN1; SMN2KDM4ENPC1RAB9ATP53
SCHEMBL4309730 0.83 ALDH1A1 (0.60) SMN1; SMN2KDM4EPOLBNPC1RAB9A
SCHEMBL16957001 0.82 ALDH1A1 (0.44) SMN1; SMN2KDM4EPOLBNPC1RAB9A
SCHEMBL7369021 0.80 KDM4E (0.52) SMN1; SMN2KDM4ENPC1RAB9ATP53
SCHEMBL7454153 0.79 PPARG (0.48) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL383820 0.77 ALDH1A1 (0.66) SMN1; SMN2KDM4EPOLBNPC1RAB9A
SCHEMBL27480738 0.77 AKR1C3 (0.48) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
EP-1954128-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
WO-2007056210-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK & CO., INC. (US) 2007-05-18 WO disclosed
WO-2007056210-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK & CO., INC. (US) 2007-05-18 WO disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
US-7074809-B2 Compounds ASTRAZENECA AB (SE) 2006-07-11 US disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 WO disclosed
US-5883282-A UREA CHEMICAL INTERMEDIATES; RICE AMERICAN CYANAMID COMPANY (US) 1999-03-16 US disclosed
US-5763605-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 US disclosed
US-5670641-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-09-23 US disclosed
US-5654256-A PREEMERGENCE, POSTEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1997-08-05 US disclosed
US-5604180-A RICE CROPS AMERICAN CYANAMID COMPANY 1997-02-18 US disclosed
EP-0745595-A1 3-(3-Aryloxyphenyl)-1-(substituted methyl)-s-triazine-2,4,6-oxo or thiotrione herbicidal agents American Cyanamid Company (US) 1996-12-04 EP disclosed
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 US disclosed
US-4946858-A ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-08-07 US disclosed
US-4900739-A ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORP. (US) 1990-02-13 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 (1 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-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 SMN1; SMN2 4796/4885PRKAB2 1919/4885PRKAG1 1816/4885

“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.