SCHEMBL7012222

SCHEMBL7012222

CCCCC(=O)Nc1c(C(=O)OC)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
KMT2A Q03164 8/20 0.49
MEN1 O00255 6/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.48
ALOX12 P18054 1/20 0.47
LMNA P02545 3/20 0.47
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL9195088 0.96 KMT2A (0.51) CYP1A2CYP3A4KMT2AMEN1KDM4E
SCHEMBL1917678 0.93 LMNA (0.51) CYP1A2CYP3A4KMT2AMEN1KDM4E
SCHEMBL8539689 0.88 CYP1A2 (0.53) CYP1A2CYP3A4KMT2AMEN1KDM4E
SCHEMBL8539685 0.88 CYP1A2 (0.53) CYP1A2CYP3A4KMT2AMEN1KDM4E
SCHEMBL8128216 0.87 KMT2A (0.56) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9192883 0.84 CYP1A2 (0.52) CYP1A2CYP3A4KMT2AMEN1ALDH1A1
SCHEMBL12730391 0.84 SMN1; SMN2 (0.52) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL15766786 0.84 ALDH1A1 (0.57) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL762575 0.82 MAPT (0.52) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9193249 0.82 MAPT (0.50) CYP1A2CYP3A4KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
EP-0520423-B1 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-14 EP disclosed
US-6100252-A SPECIFIED COMPOUNDS INCLUDING METHYL 2-BUTYL-1-((2'-(2-OXO-3H-1,2,3,5-OXATHIADIAZOL-4-YL)BIPHENYL) METHYL)-BENZIMIDAZOLE-7-CARBOXYLATE; USE TO TREAT CIRCULATORY DISEASES SUCH AS HYPERTENSIVE DISEASES AND HEART DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
US-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed
US-5635525-A DIAGNOSTICS HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-03 US disclosed
US-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
CN-1029961-C Benzimidazole derivatives, their prodn. and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-10-11 CN disclosed
US-5444068-A Imidazopyridine derivatives as angiotensin II receptor antagonists, pharmaceuticals, and treatment of hypertension therewith HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-22 US disclosed
EP-0425921-B1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-09 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
US-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed
US-5250554-A Cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 US disclosed
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed
US-5128356-A Angiotensin antagonist; cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-07 US disclosed
CN-1051355-A Benzimidizole derivatives, its production method and application thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-05-15 CN disclosed
EP-0425921-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-05-08 EP disclosed