SCHEMBL5442652

SCHEMBL5442652

CC(O)COc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ HTR2A P28223 1/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ CACNA1G O43497 4/20 0.36
▸ MKNK1 Q9BUB5 2/20 0.36
▸ MKNK2 Q9HBH9 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL5437171 0.92 MAPT (0.44) MAPTHTR2APTGDR2MKNK1MKNK2
SCHEMBL5439520 0.85 MAPT (0.46) MAPTPTGDR2MKNK1MKNK2MEN1
SCHEMBL5183183 0.84 MAPT (0.44) MAPTHTR2APTGDR2MKNK1MKNK2
SCHEMBL8264094 0.84 MAPT (0.47) MAPTHTR2APTGDR2MKNK1MKNK2
SCHEMBL5197304 0.84 MAPT (0.49) MAPTPTGDR2MKNK1MKNK2MEN1
SCHEMBL5439446 0.83 MAPT (0.44) MAPTHTR2APTGDR2MKNK1MKNK2
SCHEMBL16275018 0.83 MAPT (0.44) MAPTHTR2APTGDR2MKNK1MKNK2
SCHEMBL5194991 0.83 MAPT (0.46) MAPTHTR2APTGDR2MKNK1MKNK2
SCHEMBL5442869 0.83 SMN1; SMN2 (0.43) MAPTHTR2APTGDR2MKNK1MKNK2
SCHEMBL5183820 0.83 PTGS2 (0.44) MAPTHTR2APTGDR2MKNK1MKNK2

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 MAPT 2615/4885HTR2A 41/4885PTGDR2 85/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MAPT 2062/4885HTR2A 32/4885PTGDR2 78/4885

“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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