SCHEMBL3977481

SCHEMBL3977481

CCCNc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2C9 P11712 1/20 0.46
ADRB3 P13945 1/20 0.46
ADRA2B P18089 1/20 0.46
SLC6A2 P23975 1/20 0.46
TBXAS1 P24557 1/20 0.46
HTR2C P28335 1/20 0.46
AGTR1 P30556 1/20 0.46
PPARG P37231 1/20 0.46
HTR2B P41595 1/20 0.46
AGTR2 P50052 1/20 0.46
PDE3A Q14432 1/20 0.46
LTB4R2 Q9NPC1 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
SCHEMBL3978268 0.95
SCHEMBL683629 0.94 AGTR2 (0.47) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL3976473 0.94 ABCB11 (0.47) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL683689 0.92 ABCB11 (0.53) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL3979120 0.87 ABCB11 (0.51) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL684018 0.87 AGTR2 (0.48) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL9193419 0.87
SCHEMBL9194238 0.87
SCHEMBL683312 0.87 ABCB11 (0.51) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL1653406 0.86 AGTR2 (0.62) ABCB11EGFRERBB2CYP3A4ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-0720982-B1 Benzimidazole derivatives, their production and use and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP 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-5639773-A TREATING GLAUCOMA SENJU PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 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
WO-1995001176-A1 USE OF AN ANGIOTENSIN II ANTAGONIST AS AN OCULAR HYPOTENSIVE AGENT SENJU PHARMACEUTICAL CO., LTD. (JP) 1995-01-12 WO disclosed
EP-0631780-A1 Use of an angiotensin II antagonist as an ocular hypotensive agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-04 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 ABCB11 546/4885EGFR 3292/4885ERBB2 2454/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 ABCB11 1224/4885EGFR 2287/4885ERBB2 2995/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 ABCB11 1312/4885EGFR 2401/4885ERBB2 2596/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 ABCB11 1237/4885EGFR 2472/4885ERBB2 2601/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 ABCB11 315/4885EGFR 3223/4885ERBB2 2651/4885

“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.