SCHEMBL523396

SCHEMBL523396

O=C(O)c1nc2cccnc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.42
KDM4E B2RXH2 4/20 0.40
DAO P14920 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
PTPRB P23467 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
Hydrochloric Acid SCHEMBL2816871 0.98 PIN1 (0.41) PIN1KDM4EDAOTDP1PDE10A
SCHEMBL4333657 0.84 RIPK1 (0.46) KDM4EDAOCYP3A4HSD17B10ALDH1A1
SCHEMBL3368051 0.81 MAP2K1 (0.48) KDM4ETDP1PDE10ACYP2C9HSD17B10
SCHEMBL19072728 0.77 SMYD3 (0.54) RIPK1
SCHEMBL5315369 0.75 DAO (0.37) KDM4EDAOALDH1A1ALOX15NPSR1
SCHEMBL4093017 0.74 HRH4 (0.66) PDE10AALOX15RIPK1
SCHEMBL30515605 0.73 KDM4E (0.53) PIN1KDM4EDAOCYP3A4CYP2C9
SCHEMBL31197525 0.73 DAO (0.44) DAOALDH1A1MEN1KMT2ARIPK1
SCHEMBL4353284 0.73 DAO (0.44) DAOALDH1A1MEN1KMT2ARIPK1
SCHEMBL29623058 0.73 DAGLA (0.56) KDM4EPDE10ACYP2C9ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735161-B2 Gas sensor incorporating a porous framework THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-27 US claimed
US-20130295680-A1 GAS SENSOR INCORPORATING A POROUS FRAMEWORK BASF SE 2013-11-07 US claimed
US-8480792-B2 Preparation of functionalized zeolitic frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-09 US claimed
US-8480955-B2 Gas sensor incorporating a porous framework THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-09 US claimed
US-20120028846-A1 GAS SENSOR INCORPORATING A POROUS FRAMEWORK BASF SE (DE) 2012-02-02 US claimed
EP-2356072-A1 A GAS SENSOR INCORPORATING A POROUS FRAMEWORK The Regents of the University of California (US) 2011-08-17 EP claimed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US claimed
US-20100186588-A1 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-29 US claimed
WO-2010078337-A1 A GAS SENSOR INCORPORATING A POROUS FRAMEWORK THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 WO claimed
US-20100132549-A1 ADSORPTIVE GAS SEPARATION OF MULTI-COMPONENT GASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-03 US claimed
EP-2167511-A2 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS The Regents of the University of California (US) 2010-03-31 EP claimed
EP-2155608-A1 ADSORPTIVE GAS SEPARATION OF MULTI-COMPONENT GASES The Regents Of The University Of California (US) 2010-02-24 EP claimed
WO-2009020745-A9 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS UNIV CALIFORNIA (US) 2009-07-02 WO claimed
WO-2009020745-A2 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-12 WO claimed
WO-2008140788-A1 ADSORPTIVE GAS SEPARATION OF MULTI-COMPONENT GASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 WO claimed
EP-1988996-A2 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS The Regents of the University of Michigan (US) 2008-11-12 EP claimed
WO-2007101241-A2 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-09-07 WO claimed
US-20070202038-A1 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-08-30 US claimed
US-20230391752-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2023-12-07 US disclosed
WO-2002100858-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 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 (4 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-20230391752-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES GLS2, PYGL, CPS1 PIN1 477/4885KDM4E 1778/4885DAO 1068/4885
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG PIN1 3949/4885KDM4E 1395/4885DAO 4750/4885
US-20070202038-A1 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS SOD1, HNRNPF, GTF2F1 PIN1 1360/4885KDM4E 1297/4885DAO 3674/4885
US-20100186588-A1 PREPARATION OF FUNCTIONALIZED ZEOLITIC FRAMEWORKS SOD1, HNRNPF, GTF2F1 PIN1 1360/4885KDM4E 1297/4885DAO 3674/4885

“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.