SCHEMBL5439773

SCHEMBL5439773

O=c1ccc(-c2ccc(O)cc2)cn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.53
MKNK1 Q9BUB5 3/20 0.53
MKNK2 Q9HBH9 3/20 0.53
BRD4 O60885 2/20 0.52
BRD2 P25440 1/20 0.51
BRD3 Q15059 1/20 0.51
BRDT Q58F21 1/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.50
HRH3 Q9Y5N1 1/20 0.46
IDH1 O75874 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
SDHB P21912 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
SCHEMBL5445259 0.90 MKNK1 (0.58) CREBBPMKNK1MKNK2BRD4BRD2
SCHEMBL29821531 0.86 BRD4 (0.56) MKNK1MKNK2BRD4BRD2BRD3
SCHEMBL5439784 0.86 FABP6 (0.47) CREBBPMKNK1MKNK2PTGDR2ALDH1A1
SCHEMBL5438403 0.85 MKNK1 (0.54) CREBBPMKNK1MKNK2BRD4BRD2
SCHEMBL5435554 0.84 PTGDR2 (0.54) CREBBPMKNK1MKNK2BRD4BRD2
SCHEMBL5437566 0.84 BRD4 (0.59) CREBBPMKNK1MKNK2BRD4BRD2
SCHEMBL5439606 0.83 CREBBP (0.56) CREBBPMKNK1MKNK2BRD4BRD2
SCHEMBL5430818 0.82 BRD4 (0.60) CREBBPMKNK1MKNK2BRD4BRD2
SCHEMBL5433212 0.81 ALDH1A1 (0.53) CREBBPMKNK1MKNK2BRD4PTGDR2
SCHEMBL5441377 0.80 BRD4 (0.52) CREBBPMKNK1MKNK2BRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 EP 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 claimed
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 EP disclosed
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 CREBBP 2672/4885MKNK1 2293/4885MKNK2 1366/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 CREBBP 2331/4885MKNK1 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.