SCHEMBL684047

SCHEMBL684047

O=C(O)c1cccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c12

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.54
AGTR2 P50052 1/20 0.52
AGTR1 P30556 2/20 0.51

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
SCHEMBL1380674 0.92 PPARG (0.46) PPARGAGTR2AGTR1
SCHEMBL683359 0.90 AGTR2 (0.57) PPARGAGTR2AGTR1
SCHEMBL683639 0.89 AGTR2 (0.65) PPARGAGTR2AGTR1
SCHEMBL18088504 0.89 AGTR2 (0.56) AGTR2
SCHEMBL3804684 0.88 PPARG (0.54) PPARGAGTR1
SCHEMBL2844345 0.87 AGTR1 (0.48) AGTR2AGTR1
SCHEMBL13175977 0.87 PPARG (0.52) PPARGAGTR2AGTR1
SCHEMBL18087887 0.86 AGTR2 (0.59) AGTR2
SCHEMBL13954876 0.85 PPARG (0.49) PPARGAGTR2AGTR1
SCHEMBL7015930 0.85 AGTR1 (0.47) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302614-A1 METHOD FOR IMPROVING CEREBRAL CIRCULATION OR TREATING A CEREBRAL BLOOD FLOW DISORDER OSAKA UNIVERSITY (JP) 2012-11-29 US claimed
EP-2068812-B9 MEDICINAL PACKAGE TAKEDA PHARMACEUTICAL (JP) 2012-08-08 EP claimed
US-20120172401-A1 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US claimed
EP-1990052-B1 PHARMACEUTICAL PACKAGE COMPRISING 2-ETHOXY-1-{[2'-(5-OXO-4,5-DIHYDRO-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-YL]METHYL}-1H-BENZIMIDAZOLE-7-CARBOXYLIC ACID (5-METHYL-2-OXO-1,3-DIOXOL-4-YL)METHYL OR 2-CYCLOPROPYL-1-{[2'-(5-OXO-4,5-DIHYDRO-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-YL]METHYL}-1H-BENZIMIDAZOLE-7-CARBOXYLIC ACID (5-METHYL-2-OXO-1,3-DIOXOL-4-YL)METHYL AND A DESICCANT. TAKEDA PHARMACEUTICAL (JP) 2012-05-16 EP claimed
JP-4795362-B2 2011-10-19 JP claimed
EP-1863801-B1 BENZIMIDAZOLE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-09-29 EP claimed
US-20100130567-A1 MEDICAL AGENT FOR PREVENTION OR TREATMENT OF ALZHEIMER 'S DISEASE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US claimed
EP-2174666-A1 MEDICINAL AGENT FOR PREVENTION OR TREATMENT OF ALZHEIMER'S DISEASE Daiichi Sankyo Company, Limited (JP) 2010-04-14 EP claimed
US-20090054502-A1 Benzimidazole Derivative and Use as Angiotensin II Antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-02-26 US claimed
US-20090012132-A1 Pharmaceutical Package TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-08 US claimed
EP-1990052-A1 PHARMACEUTICAL PACKAGE Takeda Pharmaceutical Company Limited (JP) 2008-11-12 EP claimed
JP-2008534434-A 2008-08-28 JP claimed
EP-1863801-A2 BENZIMIDAZOLE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP claimed
WO-2006107062-A2 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-12 WO claimed
US-20160008328-A1 Stable Pharmaceutical Package Comprising Azilsartan Medoxomil CADILA HEALTHCARE LIMITED (IN) 2016-01-14 US disclosed
US-20120302614-A1 METHOD FOR IMPROVING CEREBRAL CIRCULATION OR TREATING A CEREBRAL BLOOD FLOW DISORDER OSAKA UNIVERSITY (JP) 2012-11-29 US disclosed
US-20120172401-A1 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US disclosed
EP-1990052-A1 PHARMACEUTICAL PACKAGE Takeda Pharmaceutical Company Limited (JP) 2008-11-12 EP disclosed
EP-1863801-A2 BENZIMIDAZOLE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
WO-2006107062-A2 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-12 WO 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-20120172401-A1 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST AGTR2, AGTR1, ACE PPARG 1405/4885AGTR2 1/4885AGTR1 2/4885
US-20100130567-A1 MEDICAL AGENT FOR PREVENTION OR TREATMENT OF ALZHEIMER 'S DISEASE AGTR1, AGTR2, ACE PPARG 428/4885AGTR2 2/4885AGTR1 1/4885
US-20090054502-A1 Benzimidazole Derivative and Use as Angiotensin II Antagonist AGTR2, AGTR1, ACE PPARG 1405/4885AGTR2 1/4885AGTR1 2/4885
US-20160008328-A1 Stable Pharmaceutical Package Comprising Azilsartan Medoxomil REN, AVPR2, QDPR PPARG 3426/4885AGTR2 16/4885AGTR1 17/4885
US-20120302614-A1 METHOD FOR IMPROVING CEREBRAL CIRCULATION OR TREATING A CEREBRAL BLOOD FLOW DISORDER AGTR2, AGTR1, BDKRB2 PPARG 1211/4885AGTR2 1/4885AGTR1 2/4885

“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.