SCHEMBL1775436

SCHEMBL1775436

CCOc1nc2c(C(=O)O)ccc(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.38
AGTR2 P50052 2/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRB3 P13945 1/20 0.38
ADRA2B P18089 1/20 0.38
SLC6A2 P23975 1/20 0.38
TBXAS1 P24557 1/20 0.38
HTR2C P28335 1/20 0.38
PPARG P37231 1/20 0.38
HTR2B P41595 1/20 0.38
PDE3A Q14432 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
BRS3 P32247 5/20 0.36
DHODH Q02127 2/20 0.35

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
SCHEMBL844426 0.94 AGTR1 (0.38) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL9291476 0.87 AGTR1 (0.39) AGTR1AGTR2PDE3A
SCHEMBL8357465 0.83 BRS3 (0.45) AGTR1AGTR2BRS3
SCHEMBL6917321 0.79 ABCB11 (0.36) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL7972081 0.77 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL6789844 0.77 PPARG (0.49) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL4795872 0.76 AGTR1 (0.55) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL12475515 0.76 BRS3 (0.45) AGTR1AGTR2BRS3DHODH
SCHEMBL8866651 0.76 DHODH (0.44) DHODH
SCHEMBL975346 0.75 ABCB11 (0.37) AGTR1AGTR2ABCB11EGFRERBB2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153972-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2006-12-26 US claimed
US-20050131039-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-06-16 US claimed
US-20040219208-A1 Sustained-release medicines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-04 US claimed
US-20040044223-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2004-03-04 US claimed
US-20020151723-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-10-17 US claimed
JP-8099960-A None JP disclosed
EP-1984356-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL MYLAN LAB LTD (IN) 2012-11-14 EP disclosed
US-7943780-B2 Process for the preparation of candesartan cilexetil MATRIX LABORATORIES LTD. (IN) 2011-05-17 US disclosed
US-7538133-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-26 US disclosed
US-20090018344-A1 PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL MYLAN LABORATORIES LIMITED (IN) 2009-01-15 US disclosed
EP-1984356-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL Matrix Laboratories Limited (IN) 2008-10-29 EP 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-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
JP-H0899960-A BENZIMIDAZOLE DERIVATIVE TAKEDA CHEM IND LTD 1996-04-16 JP disclosed
US-5401764-A Hypotensive agents or cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-28 US disclosed
US-5196444-A Angiotensin/II/ antagonists; hypotensive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-23 US disclosed
EP-0459136-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-12-04 EP disclosed
JP-H00899960-A 0001-01-01 JP 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 (7 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-20090018344-A1 PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL REN, CA4, SI AGTR1 8/4885AGTR2 19/4885ABCB11 1393/4885
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 AGTR1 1/4885AGTR2 3/4885ABCB11 546/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 AGTR1 1906/4885AGTR2 2490/4885ABCB11 1224/4885
US-20040219208-A1 Sustained-release medicines ACE, AGTR2, AGT AGTR1 5/4885AGTR2 2/4885ABCB11 290/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 AGTR1 2302/4885AGTR2 2919/4885ABCB11 1312/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 AGTR1 2191/4885AGTR2 2836/4885ABCB11 1237/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 AGTR1 2/4885AGTR2 11/4885ABCB11 315/4885

“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.