SCHEMBL3977075

SCHEMBL3977075

CCCCNC(=O)Nc1cccc(C(=O)O)c1NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
BDKRB1 P46663 3/20 0.43
PLK1 P53350 1/20 0.42
POLB P06746 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
HPGD P15428 2/20 0.41
CYP2C9 P11712 1/20 0.41
CFD P00746 1/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
TSHR P16473 1/20 0.39
MME P08473 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 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
SCHEMBL7960903 0.91 BDKRB1 (0.47) L3MBTL1BDKRB1POLBHPGDUSP2
SCHEMBL8419112 0.78 L3MBTL1 (0.45) LTB4R2L3MBTL1POLBHPGDCYP2C9
SCHEMBL9034499 0.77 BDKRB1 (0.46) LTB4R2L3MBTL1BDKRB1POLBAGTR1
SCHEMBL3977067 0.77 LTB4R2 (0.43) LTB4R2BDKRB1PLK1AGTR1AGTR2
SCHEMBL3974833 0.76 ALDH1A1 (0.42) L3MBTL1BDKRB1AGTR1AGTR2HPGD
SCHEMBL3977563 0.76 BDKRB1 (0.52) BDKRB1HPGDKDM4EALDH1A1MYC
SCHEMBL3976517 0.75 BDKRB1 (0.48) BDKRB1HPGDKDM4EALDH1A1MYC
SCHEMBL3982611 0.74 ALDH1A1 (0.43) L3MBTL1BDKRB1AGTR1AGTR2HPGD
SCHEMBL3978885 0.73 BDKRB1 (0.49) BDKRB1HPGDKDM4EALDH1A1MYC
SCHEMBL9339237 0.71 PPARG (0.46) AGTR1

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 13 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
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 LTB4R2 2676/4885L3MBTL1 1880/4885BDKRB1 404/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 LTB4R2 2654/4885L3MBTL1 1310/4885BDKRB1 1089/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 LTB4R2 3222/4885L3MBTL1 1273/4885BDKRB1 1666/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 LTB4R2 3087/4885L3MBTL1 1135/4885BDKRB1 1539/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 LTB4R2 3309/4885L3MBTL1 2421/4885BDKRB1 280/4885

“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.