SCHEMBL5439379

SCHEMBL5439379

O=C(O)Nc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ PTGDR2 Q9Y5Y4 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MKNK1 Q9BUB5 2/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ BRDT Q58F21 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38

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
SCHEMBL5430731 0.90 MAPT (0.45) MAPTPTGDR2ALDH1A1GAASMN1; SMN2
SCHEMBL5430785 0.85 MAPT (0.44) MAPTPTGDR2ALDH1A1GAASMN1; SMN2
SCHEMBL5431643 0.85 RIPK3 (0.47) MAPTPTGDR2ALDH1A1GAASMN1; SMN2
SCHEMBL5184935 0.83 MAPT (0.52) MAPTPTGDR2ALDH1A1GAASMN1; SMN2
SCHEMBL5433848 0.82 ALDH1A1 (0.49) MAPTPTGDR2ALDH1A1GAASMN1; SMN2
SCHEMBL5435836 0.81 MAPT (0.50) MAPTPTGDR2ALDH1A1GAASMN1; SMN2
SCHEMBL8264087 0.81 MAPT (0.52) MAPTPTGDR2ALDH1A1GAASMN1; SMN2
SCHEMBL5433959 0.81 KLKB1 (0.42) MAPTPTGDR2ALDH1A1MKNK1MKNK2
SCHEMBL27690837 0.81 MAPT (0.44) MAPTPTGDR2ALDH1A1GAASMN1; SMN2
SCHEMBL16275018 0.81 MAPT (0.44) MAPTPTGDR2ALDH1A1MKNK1MKNK2

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
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 MAPT 2615/4885PTGDR2 85/4885ALDH1A1 3403/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MAPT 2062/4885PTGDR2 78/4885ALDH1A1 2717/4885

“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.

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