SCHEMBL4128552

SCHEMBL4128552

CSc1ccc(CC#N)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.35
KDM4E B2RXH2 6/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 3/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MMP3 P08254 1/20 0.33
AR P10275 1/20 0.33
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 5/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7781759 0.83 ENPP2 (0.38) ENPP2KDM4EHPGDTDP1MMP3
SCHEMBL4135418 0.77 TTR (0.37) SLC6A4ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2308 0.77 IDO1 (0.52) ENPP2KDM4EHPGDTDP1LMNA
SCHEMBL29609180 0.77 IDO1 (0.52) ENPP2KDM4EHPGDTDP1LMNA
SCHEMBL6936444 0.76 MAPT (0.36) ENPP2HPGDNPC1MAPTLMNA
SCHEMBL24108441 0.76 TRPV4 (0.52) ENPP2ARIDO1
SCHEMBL7202582 0.76 MAPT (0.43) ENPP2KDM4ENPC1MAPTTDP1
SCHEMBL30336953 0.76 MAPT (0.43) ENPP2KDM4ENPC1MAPTTDP1
SCHEMBL6198392 0.76 RECQL (0.38) HPGDNPC1MAPTHTTSLC6A4
SCHEMBL4711611 0.72 CYP3A4 (0.61) ENPP2KDM4EHPGDNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088584-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2009-04-02 US disclosed
EP-1986995-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2008-11-05 EP disclosed
WO-2007096034-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-08-30 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-20090088584-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES PAH, CTRC, DDC ENPP2 1019/4885KDM4E 3261/4885HPGD 3894/4885

“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.