SCHEMBL5439436

SCHEMBL5439436

COc1ccc(-c2ccc(=O)n(Cc3cccc(F)c3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.57
▸ MKNK1 Q9BUB5 2/20 0.56
▸ MKNK2 Q9HBH9 2/20 0.56
▸ SDHB P21912 2/20 0.48
▸ MAPT P10636 6/20 0.48
▸ TP53 P04637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PTGER3 P43115 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
SCHEMBL5435624 0.88 MAPT (0.61) BRD4SDHBMAPTTP53LMNA
SCHEMBL5438506 0.86 BRD4 (0.64) BRD4MKNK1MKNK2TP53LMNA
SCHEMBL5434488 0.85 MAPT (0.65) MKNK1MKNK2SDHBMAPTTP53
SCHEMBL5430703 0.84 CNR1 (0.52) SDHBMAPTALDH1A1POLBGAA
SCHEMBL5445050 0.84 HRH3 (0.55) BRD4MKNK1MKNK2SDHBMAPT
SCHEMBL5184663 0.84 MAPT (0.50) BRD4MAPTTP53LMNAALDH1A1
SCHEMBL5443008 0.84 SDHB (0.49) BRD4SDHBMAPTTP53LMNA
SCHEMBL5441308 0.83 MAPT (0.51) BRD4MAPTTP53LMNAALDH1A1
SCHEMBL5445065 0.82 SDHB (0.54) SDHBMAPTTP53LMNAALDH1A1
SCHEMBL5194802 0.82 MAPT (0.61) MKNK1MKNK2SDHBMAPTTP53

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 4 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 claimed
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 BRD4 1456/4885MKNK1 2293/4885MKNK2 1366/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 BRD4 1140/4885MKNK1 1868/4885MKNK2 1100/4885

“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