SCHEMBL2879759

SCHEMBL2879759

COC(=O)c1cccc(N)c1N(C)c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
CFTR P13569 1/20 0.43
SLC6A3 Q01959 4/20 0.41
SLC6A4 P31645 3/20 0.41
ESR2 Q92731 1/20 0.39
ADORA2A P29274 1/20 0.38
SLC6A2 P23975 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PTPN5 P54829 1/20 0.36
HPGD P15428 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
LMNA P02545 1/20 0.35
FFAR1 O14842 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
SCHEMBL29024296 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10ESR2KDM4EHPGD
SCHEMBL30443795 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10ESR2KDM4EHPGD
SCHEMBL3976382 0.88 SLC6A3 (0.53) ALDH1A1HSD17B10CFTRSLC6A3SLC6A4
SCHEMBL3977558 0.85 KDM4E (0.41) ALDH1A1HSD17B10SLC6A3SLC6A4ESR2
SCHEMBL7012590 0.84 SLC6A3 (0.47) ALDH1A1HSD17B10CFTRSLC6A3SLC6A4
SCHEMBL2598199 0.84 ALDH1A1 (0.40) ALDH1A1SLC6A3SLC6A4ESR2SLC6A2
SCHEMBL2873886 0.78 ALDH1A1 (0.45) ALDH1A1HSD17B10CFTRSLC6A3SLC6A4
SCHEMBL27321835 0.78 ALDH1A1 (0.47) ALDH1A1HSD17B10CFTRSLC6A3SLC6A4
SCHEMBL7008730 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10CFTRSLC6A3SLC6A4
SCHEMBL2927336 0.76 BDKRB1 (0.49) ALDH1A1HSD17B10CFTRSLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013186792-A2 PROCESS FOR THE PREPARATION OF (5-METHYL-2-OXO-L,3-DIOXOI-4-VL)METHVL 2- ETHOXV-L-{[2'-(5-OXO-4,5-DIHVDRO-L,2,4-OXADIAZOL-3-VL)BIPHENYI-4-VL]METHYL}- LH-BENZIMIDAZOLE-7-CARBOXYIATE AND ITS SALTS MSN LABORATORIES LIMITED (IN) 2013-12-19 WO claimed
WO-2013186792-A2 PROCESS FOR THE PREPARATION OF (5-METHYL-2-OXO-L,3-DIOXOI-4-VL)METHVL 2- ETHOXV-L-{[2'-(5-OXO-4,5-DIHVDRO-L,2,4-OXADIAZOL-3-VL)BIPHENYI-4-VL]METHYL}- LH-BENZIMIDAZOLE-7-CARBOXYIATE AND ITS SALTS MSN LABORATORIES LIMITED (IN) 2013-12-19 WO disclosed
WO-2010067912-A1 METHODS FOR PREPARING BIPHENYL BENZOIC ACID DERIVATIVES PHARMACOSTECH CO., LTD. (KR) 2010-06-17 WO disclosed
US-7538133-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-26 US disclosed
US-20070259932-A1 angiotensin II antagonists; Hypotensive agents; cardiovascular disorders; reacting Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-mercaptobenzimidazole-7-carboxylic acid compound with alkylating agent TAKEDA PHARMACEUTICAL COMPANY, LIMITED 2007-11-08 US disclosed
US-7153972-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2006-12-26 US disclosed
US-20050131039-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-06-16 US disclosed
US-6844443-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2005-01-18 US disclosed
US-20040044223-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2004-03-04 US disclosed
US-6608210-B2 Such as 1-(cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-((2'-(1H-tetrazol-t-yl)biphenyl-4-yl)methyl) benzimidazol-7-carboxylate; exhibits antihypertensive activity and strong angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-19 US disclosed
US-20020151723-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-10-17 US disclosed
US-6355808-B2 ANGAGONIZING ANGIOTENSIN II TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-12 US disclosed
US-20010047020-A1 Benzimidazole derivatives, their production and use TAKEDA PHARAMCEUTICAL COMPANY, LIMITED (JP) 2001-11-29 US disclosed
US-6232334-B1 HAVE POTENT ANGIOTENSIN II ANTAGONISTIC ACTIVITY AND ANTIHYPERTENSIVE ACTIVITY, FOR TREATING CIRCULATORY SYSTEM DISEASES SUCH AS HYPERTENSIVE DISEASES, HEART DISEASES, STROKES, CEREBRAL APOPLEXY AND NEPHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-15 US disclosed
US-6004989-A ETHYL 2-ETHOXY-1-(2'-1H-TETRAZOL-5-YL)BIPHENYL-4-YL)METHYL) BENZIMIDAZOLE-7-CARBOXYLATE AND SALTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-21 US disclosed
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed
EP-0720982-A1 Benzimidazole derivatives, their production and use and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-10 EP disclosed
EP-0459136-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-12-04 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 (5 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-20070259932-A1 angiotensin II antagonists; Hypotensive agents; cardiovascular disorders; reacting Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-mercaptobenzimidazole-7-carboxylic acid compound with alkylating agent AGTR1, REN, AGTR2 ALDH1A1 2411/4885HSD17B10 2649/4885CFTR 2719/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 ALDH1A1 1933/4885HSD17B10 2049/4885CFTR 1710/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 ALDH1A1 1236/4885HSD17B10 2188/4885CFTR 1908/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 ALDH1A1 1235/4885HSD17B10 2376/4885CFTR 1748/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 ALDH1A1 1087/4885HSD17B10 1582/4885CFTR 2420/4885

“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.