SCHEMBL5442869

SCHEMBL5442869

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ BRD2 P25440 1/20 0.41
▸ BRD3 Q15059 1/20 0.41
▸ BRDT Q58F21 1/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.37

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
SCHEMBL5183820 0.90 PTGS2 (0.44) SMN1; SMN2ALDH1A1GAAMAPTBRD4
SCHEMBL5183183 0.90 MAPT (0.44) SMN1; SMN2ALDH1A1GAAMAPTBRD4
SCHEMBL16275018 0.89 MAPT (0.44) ALDH1A1MAPTPTGDR2CHRM1HTR2A
SCHEMBL5439520 0.84 MAPT (0.46) MAPTPTGDR2MKNK2MKNK1MEN1
SCHEMBL5439419 0.84 MAPT (0.44) SMN1; SMN2ALDH1A1GAAMAPTBRD4
SCHEMBL5430825 0.83 MTNR1A (0.42) ALDH1A1MAPTPTGDR2PRKAB2PRKAG1
SCHEMBL8264094 0.83 MAPT (0.47) SMN1; SMN2ALDH1A1GAAMAPTPTGDR2
SCHEMBL5197304 0.83 MAPT (0.49) SMN1; SMN2ALDH1A1GAAMAPTPTGDR2
SCHEMBL5442652 0.83 MAPT (0.43) SMN1; SMN2ALDH1A1GAAMAPTPTGDR2
SCHEMBL5435775 0.83 L3MBTL1 (0.41) SMN1; SMN2MAPTPTGDR2PRKAB2PRKAG1

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
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
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 — — CN 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
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 — — CN 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 SMN1; SMN2 1523/4885ALDH1A1 3403/4885GAA 4559/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 SMN1; SMN2 1675/4885ALDH1A1 2717/4885GAA 4394/4885

“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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