SCHEMBL3981608

SCHEMBL3981608

CCCOc1nc2ccccc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.48
AGTR2 P50052 4/20 0.48
PPARG P37231 5/20 0.43
ABCB11 O95342 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADRB3 P13945 1/20 0.42
ADRA2B P18089 1/20 0.42
SLC6A2 P23975 1/20 0.42
TBXAS1 P24557 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
PDE3A Q14432 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL5066774 0.92 PPARG (0.49) AGTR1AGTR2PPARGABCB11EGFR
SCHEMBL9194632 0.84 PPARG (0.62) AGTR1AGTR2PPARG
SCHEMBL683302 0.83 ABCB11 (0.64) AGTR1AGTR2PPARGABCB11EGFR
SCHEMBL8393351 0.82 AGTR1 (0.70) AGTR1AGTR2PPARG
SCHEMBL7463829 0.82 ABCB11 (0.50) AGTR1AGTR2PPARGABCB11EGFR
SCHEMBL9194965 0.82 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL683301 0.81 AGTR2 (0.55) AGTR1AGTR2PPARGABCB11EGFR
SCHEMBL683778 0.81 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL2796231 0.81 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL8971897 0.81 AGTR1 (0.54) AGTR1AGTR2

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 15 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-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
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
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 AGTR1 1/4885AGTR2 3/4885PPARG 1708/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 AGTR1 1906/4885AGTR2 2490/4885PPARG 1835/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 AGTR1 2302/4885AGTR2 2919/4885PPARG 1704/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 AGTR1 2191/4885AGTR2 2836/4885PPARG 1901/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 AGTR1 2/4885AGTR2 11/4885PPARG 146/4885

“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.