SCHEMBL377599

SCHEMBL377599

NC1Cc2c([nH]c3ccccc23)CNC1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 2/20 0.54
KDM4E B2RXH2 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HTR5A P47898 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
MAPK1 P28482 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL30866199 0.90 NR2E1 (0.52) NR2E1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21754369 0.75 NR2E1 (0.75) NR2E1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL13081976 0.72 SSTR4 (0.50) KMT2A
SCHEMBL10639172 0.72 KDM4E (0.69) NR2E1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21333954 0.72 ANPEP (0.55) KDM4ECYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL1877421 0.72 KDM4E (0.69) NR2E1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL4738583 0.72 KMT2A (0.49) NR2E1KDM4EALDH1A1MAPTKMT2A
SCHEMBL866593 0.71 KMT2A (0.60) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL14223540 0.71 KMT2A (0.60) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL700531 0.70 NR2E1 (1.00) NR2E1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340575-B2 Agonists and antagonists of the urotensinergic system INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2016-05-17 US disclosed
US-9340575-B2 Agonists and antagonists of the urotensinergic system INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2016-05-17 US disclosed
EP-2729184-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM Institut National de la Recherche Scientifique (CA) 2014-05-14 EP disclosed
US-20140113872-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2014-04-24 US disclosed
US-20140113872-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2014-04-24 US disclosed
WO-2012149644-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2012-11-08 WO disclosed
US-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS UNIVERSITE DE MONTREAL (CA) 2012-04-26 US disclosed
EP-2408759-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS Valorisation-Recherche, Société en Commandite (CA) 2012-01-25 EP disclosed
WO-2010105367-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS VALORISATION-RECHERCHE SOCIETE EN COMMANDITE (CA) 2010-09-23 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 (2 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-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS QPCT, GLUL, ASNS NR2E1 4122/4885KDM4E 3662/4885CYP1A2 2139/4885
US-20140113872-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM UTS2R, SCTR, PLAUR NR2E1 426/4885KDM4E 4359/4885CYP1A2 4512/4885

“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.