SCHEMBL5442729

SCHEMBL5442729

CCCOc1ccc(=O)n(Cc2ccc(Cl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ FABP6 P51161 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40

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
SCHEMBL5437583 0.89 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2LMNAFABP6ALDH1A1
SCHEMBL5440765 0.83 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL5194377 0.82 HRH3 (0.47) SMN1; SMN2LMNANPSR1ALDH1A1MAPT
SCHEMBL5448903 0.79 MAPK14 (0.54) MAPTTHRBHRH3
SCHEMBL5437535 0.78 NPBWR1 (0.52) SMN1; SMN2LMNAFABP6ALDH1A1MAPT
SCHEMBL14410400 0.78 FABP6 (0.51) SMN1; SMN2LMNAFABP6ALDH1A1MAPT
SCHEMBL5197211 0.76 HRH3 (0.47) SMN1; SMN2LMNAALDH1A1MAPTHRH3
SCHEMBL5431537 0.76 HRH3 (0.63) L3MBTL1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL5447744 0.76 GRM2 (0.51) HRH3LTA4H
SCHEMBL14891658 0.76 FABP6 (0.47) SMN1; SMN2LMNAHTTFABP6ALDH1A1

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 L3MBTL1 4718/4885SMN1; SMN2 1523/4885LMNA 3569/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 L3MBTL1 4818/4885SMN1; SMN2 1675/4885LMNA 4135/4885

“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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