SCHEMBL571925

SCHEMBL571925

NC(=O)C=O.O=[N+]([O-])c1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
IDO1 P14902 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
FLT3 P36888 2/20 0.42
CYP2A6 P11509 1/20 0.42
ALOX5 P09917 2/20 0.42
KDM4E B2RXH2 2/20 0.41
DAO P14920 2/20 0.41
HPGD P15428 1/20 0.41
SRD5A2 P31213 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL29381766 0.86 MAPT (0.53) MAPTMAPK1IDO1NPSR1CYP1A2
SCHEMBL375823 0.86 MAPT (0.53) MAPTMAPK1IDO1NPSR1CYP1A2
SCHEMBL571826 0.76 AOC3 (0.69) MAPTMAPK1IDO1NPC1FLT3
Pyridine SCHEMBL6430496 0.76 NPC1 (0.44) MAPTMAPK1IDO1NPSR1CYP1A2
2-Phenyl-1H-Indole SCHEMBL28726041 0.73 NPC1 (0.69) MAPTNPSR1CYP1A2CYP2C19NPC1
SCHEMBL1850975 0.69 CYP2A6 (0.61) MAPTMAPK1IDO1NPSR1CYP1A2
Naphthalene SCHEMBL5180063 0.69 ALOX12 (0.44) MAPTMAPK1IDO1CYP2C19MEN1
Indole SCHEMBL30721 0.66 TRPA1 (0.63) MAPTNPSR1NPC1CYP2A6KDM4E
SCHEMBL28389620 0.66 CYP19A1 (0.59) MAPTNPC1MEN1POLBKMT2A
SCHEMBL2728701 0.66 FLT3 (0.67) MAPTMAPK1IDO1NPC1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601174-B1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
EP-2601174-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2013-06-12 EP disclosed
US-8450361-B2 Substituted indole and azaindole oxoacetyl piperazinamide derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-28 US disclosed
US-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
WO-2012019003-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 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 (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-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES IDO1, IDO2, INMT MAPT 3421/4885MAPK1 4697/4885IDO1 1/4885

“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.