SCHEMBL5653591

SCHEMBL5653591

COC(=O)c1ccc(N=C=O)c(OC)c1NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
PTPN1 P18031 1/20 0.36
MME P08473 1/20 0.35
ADAM17 P78536 1/20 0.35
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2927336 0.78 BDKRB1 (0.49) BDKRB1KDM4EALDH1A1HPGDCRHBP
SCHEMBL3977563 0.76 BDKRB1 (0.52) BDKRB1KDM4EALDH1A1HPGDCRHBP
SCHEMBL31722799 0.75 BDKRB1 (0.47) BDKRB1KDM4EALDH1A1HPGDCRHBP
SCHEMBL2598198 0.75 BDKRB1 (0.47) BDKRB1KDM4EALDH1A1HPGDCRHBP
SCHEMBL9532846 0.73 ALDH1A1 (0.57) BDKRB1KDM4EALDH1A1HPGDCRHBP
SCHEMBL3978885 0.73 BDKRB1 (0.49) BDKRB1KDM4EALDH1A1HPGDCRHBP
SCHEMBL3976517 0.71 BDKRB1 (0.48) BDKRB1KDM4EALDH1A1HPGDCRHBP
SCHEMBL5652757 0.71 BDKRB1 (0.44) BDKRB1KDM4EALDH1A1HPGDCRHBP
SCHEMBL2873568 0.70 BDKRB1 (0.42) BDKRB1KDM4EALDH1A1HPGDCRHBP
SCHEMBL7960903 0.70 BDKRB1 (0.47) BDKRB1KDM4EALDH1A1HPGDCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20020151723-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-10-17 US disclosed
US-20010047020-A1 Benzimidazole derivatives, their production and use TAKEDA PHARAMCEUTICAL COMPANY, LIMITED (JP) 2001-11-29 US 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 (4 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 404/4885KDM4E 2931/4885ALDH1A1 2411/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 BDKRB1 1666/4885KDM4E 206/4885ALDH1A1 1236/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 BDKRB1 1539/4885KDM4E 223/4885ALDH1A1 1235/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 BDKRB1 280/4885KDM4E 3472/4885ALDH1A1 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.