SCHEMBL1131379

SCHEMBL1131379

COc1ccc([N+](=O)[O-])c(N(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 7/20 0.40
MAPT P10636 6/20 0.40
MAPK1 P28482 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 2/20 0.40
RAF1 P04049 1/20 0.40

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
SCHEMBL6543570 0.93 MERTK (0.40) MEN1KMT2APOLBMCOLN3SMN1; SMN2
SCHEMBL7815112 0.90 POLB (0.50) MEN1KMT2APOLBMCOLN3AKR1C3
SCHEMBL6176387 0.88 MEN1 (0.44) MEN1KMT2APOLBMCOLN3AKR1C3
SCHEMBL27939697 0.88 MEN1 (0.40) MEN1KMT2APOLBMCOLN3RAB9A
SCHEMBL27921215 0.87 MEN1 (0.36) MEN1KMT2APOLBMCOLN3AKR1C3
SCHEMBL3487495 0.85 ALDH1A1 (0.41) MEN1KMT2APOLBMCOLN3SMN1; SMN2
SCHEMBL6544430 0.85 MMP13 (0.42) AKR1C3AKR1C2SMN1; SMN2AKR1B10AKR1B1
SCHEMBL27939756 0.84 KMT2A (0.39) MEN1KMT2APOLBSMN1; SMN2RAB9A
SCHEMBL27939703 0.84 CYP19A1 (0.38) MEN1KMT2APOLBSMN1; SMN2RAB9A
SCHEMBL10136028 0.84 TSHR (0.45) KMT2APOLBMCOLN3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753298-B2 Synergistic combination comprising an insulin sensitizer and a HMG-CoA reductase inhibitor for treating arteriosclerosis SANKYO CO (JP) 2011-02-16 EP disclosed
EP-1607385-A1 Intermediates for the synthesis of benzimidazole compounds and process for the preparation thereof Sankyo Company Limited (JP) 2005-12-21 EP disclosed
EP-1172356-B1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6753347-B2 CONDENSATION OF AMINE DERIVATIVE WITH CARBOXYLIC ACID DERIVATIVES TO AFFORD INTERMEDIATE COMPOUND, FOLLOWED BY CYCLIZATION OF INTERMEDIATE COMPOUND IN PRESENCE OF ACID; HYOPOGLYCEMIC ACTION SANKYO COMPANY, LIMITED (JP) 2004-06-22 US disclosed
US-20030199580-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof SANKYO COMPANY, LIMITED (JP) 2003-10-23 US disclosed
US-6630598-B2 Reacting nitroaniline compound with acid chloride/anhydride in presence of alkali metal/earth metal compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-07 US disclosed
US-6525220-B2 Having hypoglycemic action SANKYO COMPANY, LIMITED (JP) 2003-02-25 US disclosed
US-20030008907-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof SANKYO COMPANY, LIMITED (JP) 2003-01-09 US disclosed
EP-1191019-A1 INTERMEDIATES FOR THE SYNTHESIS OF BENZIMIDAZOLE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF Sankyo Company, Limited (JP) 2002-03-27 EP disclosed
US-20020016506-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED 2002-02-07 US disclosed
EP-1172356-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-16 EP disclosed
EP-0753298-B1 Synergistic combination comprising an insulin sensitizer and a HMG-CoA reductase inhibitor for treating arteriosclerosis SANKYO CO (JP) 2001-11-21 EP disclosed
EP-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-6159997-A Treatment of arteriosclerosis and xanthoma SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
US-5798375-A ADMINISTERING TO THE PATIENT PREVASTATIN A HYDROXY-3-METHYL-GLUTARYL/3-/ COENZYME A REDUCTASE INHIBITOR AND A INSULIN SENSITIZER TROGLITAZONE SANKYO COMPANY, LIMITED (JP) 1998-08-25 US disclosed
EP-0753298-A1 Synergistic combination comprising an insulin sensitizer and a HMG-CoA reductase inhibitor for treating arteriosclerosis SANKYO COMPANY LIMITED (JP) 1997-01-15 EP disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 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 (3 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-20030008907-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof H1-4, H1-3, GCK MEN1 170/4885KMT2A 2238/4885POLB 3785/4885
US-20020016506-A1 Process for producing N-acylnitroaniline derivative NAAA, NAT1, ACOT7 MEN1 1076/4885KMT2A 513/4885POLB 3496/4885
US-20030199580-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof H1-4, H1-3, GCK MEN1 170/4885KMT2A 2238/4885POLB 3785/4885

“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.