SCHEMBL3976517

SCHEMBL3976517

CCNC(=S)Nc1cccc(C(=O)OC)c1NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3982611 0.93 ALDH1A1 (0.43) BDKRB1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL3978885 0.91 BDKRB1 (0.49) BDKRB1ALDH1A1LMNAKDM4EHPGD
SCHEMBL3977563 0.87 BDKRB1 (0.52) BDKRB1ALDH1A1GAAKDM4EHPGD
SCHEMBL3974833 0.86 ALDH1A1 (0.42) BDKRB1ALDH1A1LMNAGAAKDM4E
SCHEMBL7960903 0.84 BDKRB1 (0.47) BDKRB1ALDH1A1GAAKDM4EHPGD
SCHEMBL2927336 0.80 BDKRB1 (0.49) BDKRB1ALDH1A1KDM4EHPGDCRHBP
SCHEMBL5652757 0.80 BDKRB1 (0.44) BDKRB1ALDH1A1KDM4EHPGDCRHBP
SCHEMBL2598198 0.77 BDKRB1 (0.47) BDKRB1SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL31722799 0.77 BDKRB1 (0.47) BDKRB1SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL6307695 0.77 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAGAAKDM4E

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 BDKRB1 404/4885SMN1; SMN2 1941/4885ALDH1A1 2411/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 BDKRB1 1089/4885SMN1; SMN2 3439/4885ALDH1A1 1933/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 BDKRB1 1666/4885SMN1; SMN2 2815/4885ALDH1A1 1236/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 BDKRB1 1539/4885SMN1; SMN2 2734/4885ALDH1A1 1235/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 BDKRB1 280/4885SMN1; SMN2 1646/4885ALDH1A1 1087/4885

“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.