SCHEMBL5434479

SCHEMBL5434479

O=C(O)CCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.50
▸ MAP4K4 O95819 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ FABP6 P51161 1/20 0.45
▸ MME P08473 1/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ PLA2G4A P47712 2/20 0.43

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
SCHEMBL5435694 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2PTGDR2FABP6
SCHEMBL5431800 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2PTGDR2FABP6CHRM1
SCHEMBL5442785 0.85 CYP11B1 (0.54) ALDH1A1SMN1; SMN2PTGDR2FABP6CHRM1
SCHEMBL5184702 0.85 CHRM1 (0.49) ALDH1A1SMN1; SMN2PTGDR2FABP6CHRM1
SCHEMBL16274898 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2PTGDR2FABP6
SCHEMBL5433212 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PTGDR2FABP6
SCHEMBL5195770 0.82 CYP11B1 (0.47) ALDH1A1SMN1; SMN2PTGDR2FABP6CHRM1
SCHEMBL5439784 0.81 FABP6 (0.47) ALDH1A1SMN1; SMN2PTGDR2FABP6
SCHEMBL5195278 0.81 FABP6 (0.47) ALDH1A1SMN1; SMN2PTGDR2FABP6
SCHEMBL5438403 0.81 MKNK1 (0.54) ALDH1A1SMN1; SMN2PTGDR2

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 3 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 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 FFAR1 162/4885MAP4K4 2107/4885ALDH1A1 3403/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 FFAR1 169/4885MAP4K4 1503/4885ALDH1A1 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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