SCHEMBL2330004

SCHEMBL2330004

O=C(O)c1ncc(-c2ccccc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.55
SCN2A Q99250 2/20 0.55
MASP2 O00187 1/20 0.53
RAB9A P51151 1/20 0.50
BRS3 P32247 1/20 0.49
PIN1 Q13526 1/20 0.49
HPGDS O60760 1/20 0.47
PDE10A Q9Y233 1/20 0.46
NQO2 P16083 1/20 0.46
MAPT P10636 1/20 0.46
SCN9A Q15858 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL27992257 0.89 SCN2A (0.55) NPY5RSCN2AMASP2RAB9ABRS3
SCHEMBL11229277 0.85 SCN2A (0.52) NPY5RSCN2AMASP2RAB9ABRS3
SCHEMBL30852800 0.85 SCN9A (0.59) NPY5RSCN2AMASP2RAB9ABRS3
SCHEMBL15135617 0.84 NPY5R (0.50) NPY5RSCN2AMASP2RAB9APIN1
SCHEMBL29213500 0.84 KDM4E (0.53) BRS3PIN1NQO2MAPTKDM4E
SCHEMBL31301442 0.84 SCN2A (0.54) NPY5RSCN2ARAB9APDE10AMAPT
SCHEMBL24208563 0.80 SCN2A (0.57) NPY5RSCN2ASCN9A
SCHEMBL2026067 0.80 MAPT (0.56) NPY5RSCN2AMASP2RAB9AMAPT
SCHEMBL27491435 0.78 PIN1 (0.51) NPY5RPIN1SCN9A
SCHEMBL30518801 0.77 HPGDS (0.34) NPY5RBRS3PIN1HPGDSSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP claimed
WO-2007024744-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS, INC. (US) 2007-03-01 WO claimed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO claimed
US-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 US disclosed
WO-2022133588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 WO disclosed
EP-3263583-A1 IAP BIR DOMAIN BINDING COMPOUNDS Pharmascience Inc. (CA) 2018-01-03 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
EP-2534170-B1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2017-04-19 EP disclosed
EP-2534170-B1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2017-04-19 EP disclosed
CN-102985439-B9 IAP BIR domain binding compounds 制药科学股份有限公司 2016-08-03 CN disclosed
CN-102985439-B IAP BIR domain binding compounds 制药科学股份有限公司 2016-06-15 CN disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 US disclosed
EP-2534170-A1 IAP BIR DOMAIN BINDING COMPOUNDS Pharmascience Inc. (CA) 2012-12-19 EP disclosed
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
WO-2011098904-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-08-18 WO disclosed
WO-2011098904-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-08-18 WO disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
WO-2007024744-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS, INC. (US) 2007-03-01 WO disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 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 (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-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF SARS1, NSUN3, GTF3C4 NPY5R 3924/4885SCN2A 4387/4885MASP2 807/4885
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 NPY5R 4784/4885SCN2A 3535/4885MASP2 829/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 NPY5R 3583/4885SCN2A 2403/4885MASP2 292/4885

“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.