SCHEMBL3977067

SCHEMBL3977067

CCCCN(C(N)=O)c1cccc(C(=O)O)c1NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 14/20 0.43
AGTR1 P30556 3/20 0.41
AGTR2 P50052 2/20 0.41
BDKRB1 P46663 1/20 0.41
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
PLK1 P53350 1/20 0.38
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37

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
SCHEMBL7960900 0.92 BDKRB1 (0.42) LTB4R2AGTR1AGTR2BDKRB1MYC
SCHEMBL9034499 0.78 BDKRB1 (0.46) LTB4R2AGTR1AGTR2BDKRB1GRIA2
SCHEMBL8419109 0.78 FFAR1 (0.39) LTB4R2AGTR1AGTR2GRIA2GRIA4
SCHEMBL3977075 0.77 LTB4R2 (0.46) LTB4R2AGTR1AGTR2BDKRB1PLK1
SCHEMBL3982604 0.76 KDM4E (0.42) AGTR1AGTR2BDKRB1MYCWDR5
SCHEMBL3977071 0.73 MYC (0.38) LTB4R2AGTR1AGTR2GRIA2GRIA4
SCHEMBL5652757 0.71 BDKRB1 (0.44) LTB4R2BDKRB1MYCWDR5
SCHEMBL2927336 0.70 BDKRB1 (0.49) BDKRB1MYCWDR5
SCHEMBL30660078 0.70 ALDH1A1 (0.48) AGTR1AGTR2BDKRB1MYCWDR5
SCHEMBL3982628 0.70 ALDH1A1 (0.48) AGTR1AGTR2BDKRB1MYCWDR5

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 2676/4885AGTR1 1/4885AGTR2 3/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 LTB4R2 2654/4885AGTR1 1906/4885AGTR2 2490/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 LTB4R2 3222/4885AGTR1 2302/4885AGTR2 2919/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 LTB4R2 3087/4885AGTR1 2191/4885AGTR2 2836/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 LTB4R2 3309/4885AGTR1 2/4885AGTR2 11/4885

“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.