SCHEMBL3974833

SCHEMBL3974833

CCCNC(=S)Nc1cccc(C(=O)OCC)c1NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BDKRB1 P46663 7/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
NLRP3 Q96P20 1/20 0.38
GAA P10253 1/20 0.38
AGTR1 P30556 3/20 0.38
AGTR2 P50052 3/20 0.38
MEN1 O00255 2/20 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
SCHEMBL3982611 0.93 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EL3MBTL1HPGD
SCHEMBL6307695 0.90 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EL3MBTL1HPGD
SCHEMBL3976517 0.86 BDKRB1 (0.48) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL3978885 0.83 BDKRB1 (0.49) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL30660078 0.81 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EL3MBTL1HPGD
SCHEMBL3982628 0.81 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EL3MBTL1HPGD
SCHEMBL7960903 0.80 BDKRB1 (0.47) ALDH1A1KDM4EL3MBTL1HPGDBDKRB1
SCHEMBL3977563 0.79 BDKRB1 (0.52) ALDH1A1KDM4EHPGDHSD17B10BDKRB1
SCHEMBL3976878 0.78 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EL3MBTL1HPGD
SCHEMBL30443207 0.78 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EL3MBTL1HPGD

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 ALDH1A1 2411/4885LMNA 483/4885KDM4E 2931/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 ALDH1A1 1933/4885LMNA 1488/4885KDM4E 218/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 ALDH1A1 1236/4885LMNA 1615/4885KDM4E 206/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 ALDH1A1 1235/4885LMNA 1817/4885KDM4E 223/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 ALDH1A1 1087/4885LMNA 448/4885KDM4E 3472/4885

“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.