SCHEMBL5431584

SCHEMBL5431584

COc1ccc(-c2cc(F)c(=O)n(Cc3ccc(Cl)cc3F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ NLRP3 Q96P20 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR2A P28223 1/20 0.36

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
SCHEMBL5196824 0.91 NLRP3 (0.43) CNR1CNR2MAPTTP53NLRP3
SCHEMBL5197304 0.87 MAPT (0.49) MAPTTP53NLRP3MEN1KMT2A
SCHEMBL5447828 0.79 MAPT (0.40) CNR1CNR2MAPTTP53NLRP3
SCHEMBL5197080 0.79 NLRP3 (0.43) MAPTTP53NLRP3MEN1KMT2A
SCHEMBL5198153 0.77 MAPT (0.39) MAPTTP53NLRP3MEN1KMT2A
SCHEMBL5437292 0.76 MAPT (0.47) MAPTTP53ALDH1A1GAACHRM1
SCHEMBL5433766 0.76 NAAA (0.47) MAPTNLRP3ALDH1A1HCRTR1HCRTR2
SCHEMBL5439446 0.76 MAPT (0.44) MAPTTP53ALDH1A1GAAHTR1A
SCHEMBL5439520 0.75 MAPT (0.46) MAPTMEN1KMT2AMAOB
SCHEMBL5439419 0.75 MAPT (0.44) MAPTTP53MEN1KMT2AALDH1A1

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-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 — — US disclosed
US-8399493-B2 Pyridinone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2013-03-19 — — US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 — — US 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-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 CNR1 31/4885CNR2 29/4885MAPT 2615/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 CNR1 45/4885CNR2 28/4885MAPT 2062/4885

“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.

Send feedback