SCHEMBL4064206

SCHEMBL4064206

Nc1ccnc(O)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GAA P10253 2/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CTSB P07858 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
GPR35 Q9HC97 2/20 0.36
S100A4 P26447 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL31571463 0.80 GPR35 (0.47) MEN1KMT2AGAATHRBMAPT
SCHEMBL1191637 0.80 GPR35 (0.47) MEN1KMT2AGAATHRBMAPT
SCHEMBL3688848 0.80 MAPT (0.47) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL18486948 0.78 KMT2A (0.42) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8561095 0.78 MEN1 (0.42) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL203785 0.77 MEN1 (0.41) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL30622636 0.77 MEN1 (0.41) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL414810 0.77 MEN1 (0.41) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL28802588 0.77 MEN1 (0.41) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL5126783 0.77 PKM (0.42) MEN1KMT2AUSP2KEAP1NFE2L2

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
CN-1660842-A Preparation of 4-hydroxy-3-nitro-2(1h)-pyridone from 2-hydroxy-3-cyano-4-methoxypyridine AVENTIS PHARMA INC (US) 2005-08-31 CN claimed
CN-1191251-C Intermediate for preparing cyclopentane formamide compound and preparation method thereof AVENTIS PHARMACEUTICAL CO (US) 2005-03-02 CN claimed
CN-1394859-A Intermediate for preparing cyclopentane formamide compound and preparation method thereof AVENTIS PHARMACEUTICAL CO (US) 2003-02-05 CN claimed
CN-1090630-C Preparation method of [1S- [1a,2b,3b,4a ] ] -4- [7- [ [1- (3-chloro-2-thienyl) methyl ] propyl ] amino ] -3H-imidazo [4, 5-b ] pyridin-3-yl ] -N-ethyl-2, 3-dihydroxycyclopentanecarboxamide AVENTIS PHARMACEUTICAL INC (US) 2002-09-11 CN claimed
CN-1240445-A Preparation method of [ 1S- [1a,2b,3b,4a ] ] -4- [ 7- [ [ 1- (3-chloro-2-thienyl) methyl ] propyl ] amino-3H-imidazo [4, 5-b ] pyridin-3-yl ] -N-ethyl-2, 3-dihydroxycyclopentanecarboxamide RHONE POULENC RORER PHARMA (US) 2000-01-05 CN claimed
EP-1569936-B1 NOVEL SUBSTITUTED IMIDAZO-PYRIDINONES AND IMIDAZO-PYRIDAZEIONES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-03-18 EP disclosed
US-7109192-B2 Substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2006-09-19 US disclosed
EP-1569936-A1 NOVEL SUBSTITUTED IMIDAZO-PYRIDINONES AND IMIDAZO-PYRIDAZEIONES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2005-09-07 EP disclosed
CN-1660842-A Preparation of 4-hydroxy-3-nitro-2(1h)-pyridone from 2-hydroxy-3-cyano-4-methoxypyridine AVENTIS PHARMA INC (US) 2005-08-31 CN disclosed
CN-1191251-C Intermediate for preparing cyclopentane formamide compound and preparation method thereof AVENTIS PHARMACEUTICAL CO (US) 2005-03-02 CN disclosed
US-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2005-01-27 US disclosed
WO-2004050658-A1 NOVEL SUBSTITUTED IMIDAZO-PYRIDINONES AND IMIDAZO-PYRIDAZEIONES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-17 WO disclosed
CN-1394859-A Intermediate for preparing cyclopentane formamide compound and preparation method thereof AVENTIS PHARMACEUTICAL CO (US) 2003-02-05 CN disclosed
CN-1090630-C Preparation method of [1S- [1a,2b,3b,4a ] ] -4- [7- [ [1- (3-chloro-2-thienyl) methyl ] propyl ] amino ] -3H-imidazo [4, 5-b ] pyridin-3-yl ] -N-ethyl-2, 3-dihydroxycyclopentanecarboxamide AVENTIS PHARMACEUTICAL INC (US) 2002-09-11 CN disclosed
CN-1240445-A Preparation method of [ 1S- [1a,2b,3b,4a ] ] -4- [ 7- [ [ 1- (3-chloro-2-thienyl) methyl ] propyl ] amino-3H-imidazo [4, 5-b ] pyridin-3-yl ] -N-ethyl-2, 3-dihydroxycyclopentanecarboxamide RHONE POULENC RORER PHARMA (US) 2000-01-05 CN disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 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 (1 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-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 MEN1 3264/4885KMT2A 2970/4885USP2 2598/4885

“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.