SCHEMBL3977071

SCHEMBL3977071

CCCCN(C(N)=O)c1cccc(C(=O)ONCc2ccc(-c3ccccc3C#N)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
F2 P00734 5/20 0.37
PRSS1 P07477 5/20 0.37
PRSS2 P07478 5/20 0.37
PRSS3 P35030 5/20 0.37
F10 P00742 2/20 0.37
PLG P00747 2/20 0.37
PLAT P00750 2/20 0.37
F7 P08709 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LTB4R2 Q9NPC1 7/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
ACHE P22303 1/20 0.34
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
PPARG P37231 1/20 0.33
GRIA2 P42262 1/20 0.33

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 0.75 BDKRB1 (0.42) MYCWDR5LTB4R2AGTR1AGTR2
SCHEMBL3977067 0.73 LTB4R2 (0.43) MYCWDR5LTB4R2AGTR1AGTR2
SCHEMBL8419109 0.71 FFAR1 (0.39) LTB4R2AGTR1AGTR2FFAR1AKR1B1
SCHEMBL6064774 0.68 LTB4R2 (0.46) HDAC1HDAC6LTB4R2
SCHEMBL4680424 0.67 NPC1 (0.49) LTB4R2
SCHEMBL9429910 0.66 LTB4R2 (0.53) HDAC1HDAC6LTB4R2AGTR1FFAR1
SCHEMBL20183666 0.65 LTB4R2 (0.72) LTB4R2AGTR1
SCHEMBL8472095 0.65 FFAR1 (0.41) MYCWDR5LTB4R2AGTR1AGTR2
SCHEMBL6606543 0.65 HRH4 (0.54) MYCWDR5AGTR1ACHEPPARG
SCHEMBL9429769 0.64 LTB4R2 (0.49) HDAC1HDAC6LTB4R2AGTR1AGTR2

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 MYC 792/4885WDR5 3498/4885F2 851/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 MYC 824/4885WDR5 2920/4885F2 1741/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 MYC 863/4885WDR5 3826/4885F2 1934/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 MYC 897/4885WDR5 3856/4885F2 2016/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 MYC 956/4885WDR5 4274/4885F2 218/4885

“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.