SCHEMBL731999

SCHEMBL731999

COC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
APOBEC3A P31941 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
ALDH1A1 P00352 5/20 0.50
VCAM1 P19320 3/20 0.50
GFER P55789 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
RAF1 P04049 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
PAX8 Q06710 1/20 0.50
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
BMP1 P13497 1/20 0.47
GAA P10253 1/20 0.47
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL4992802 0.90 ALDH1A1 (0.52) MEN1KMT2AAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL1644381 0.86 ALDH1A1 (0.48) MEN1KMT2AAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL15270960 0.86 MEN1 (0.54) MEN1KMT2AAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL16412469 0.84 PDGFRB (0.57) MEN1KMT2AAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL20045093 0.84 PDGFRB (0.53) MEN1KMT2AALDH1A1GFERLMNA
SCHEMBL286994 0.84 ALDH1A1 (0.59) APOBEC3GALDH1A1GFERLMNAHPGD
SCHEMBL31170840 0.84 ALDH1A1 (0.59) APOBEC3GALDH1A1GFERLMNAHPGD
SCHEMBL10531892 0.83 NR1D1 (0.54) MEN1KMT2AAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL11319638 0.83 HSP90AB1 (0.50) MEN1KMT2AAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL13079792 0.82 PDGFRB (0.52) MEN1KMT2AALDH1A1GFERLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666473-B1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-01-02 EP disclosed
US-8138335-B2 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-20 US disclosed
US-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-04 US disclosed
US-20090312558-A1 PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPOANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-12-17 US disclosed
WO-2009150660-A1 A PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-12-17 WO disclosed
US-7601712-B2 Such as (1)-2-(4-chloro-3-((2-chloro-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ly)methoxy)benzoyl)amino)phenyl)-2-methylpropanoic acid; prostaglandin receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 US disclosed
CN-100500654-C Tetrahydrocarbazole derivatives as ligands for G-protein coupled receptors (GPCRs) ZENTARIS AG (DE) 2009-06-17 CN disclosed
EP-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP disclosed
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 US disclosed
US-6433188-B1 ANTIDIABETIC AGENTS CORBETT WENDY LEA (US) 2002-08-13 US disclosed
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY LEA (US) 2002-08-08 US disclosed
US-20020103199-A1 Fused heteroaromatic glucokinase activators CORBETT WENDY LEA (US) 2002-08-01 US disclosed
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-01 US disclosed
WO-2002046173-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 US disclosed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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 (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-20020103199-A1 Fused heteroaromatic glucokinase activators GCKR, GCK, GPR119 MEN1 4000/4885KMT2A 3124/4885APOBEC3A 3792/4885
US-20090312558-A1 PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPOANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM NOTUM, SULT2A1, SULT1A1 MEN1 4200/4885KMT2A 2525/4885APOBEC3A 843/4885
US-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT GPR17, CYSLTR1, KIT MEN1 4795/4885KMT2A 4044/4885APOBEC3A 4528/4885
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 MEN1 4000/4885KMT2A 3124/4885APOBEC3A 3792/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK MEN1 3987/4885KMT2A 2763/4885APOBEC3A 2744/4885
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 MEN1 4000/4885KMT2A 3124/4885APOBEC3A 3792/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK MEN1 3699/4885KMT2A 1970/4885APOBEC3A 2930/4885

“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.