SCHEMBL5437513

SCHEMBL5437513

COc1ccc(-c2ccc(=O)n(CC(=O)N(C)Cc3cccc(OC)c3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 6/20 0.61
▸ HSD17B2 P37059 6/20 0.54
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ CDC42BPA Q5VT25 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 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
SCHEMBL5434352 0.91 TSPO (0.52) TSPOHSD17B2KMT2ANPC1RAB9A
SCHEMBL5438598 0.90 MAPK1 (0.56) TSPOHSD17B2KMT2ANPC1RAB9A
SCHEMBL5435733 0.85 ALDH1A1 (0.50) TSPOKMT2ANPC1RAB9AMAPK1
SCHEMBL5437499 0.84 PLA2G7 (0.54) TSPOKMT2ANPC1RAB9AMAPK1
SCHEMBL5450905 0.81 ALDH1A1 (0.55) TSPOKMT2ANPC1RAB9AMAPK1
SCHEMBL5447764 0.81 MAPT (0.48) TSPOKMT2ANPC1RAB9AMAPK1
SCHEMBL5435624 0.79 MAPT (0.61) KMT2AMEN1ALDH1A1SIGMAR1RECQL
SCHEMBL27710874 0.74 ALDH1A1 (0.45) TSPOKMT2AMAPK1MEN1ALDH1A1
SCHEMBL5436962 0.74 ALDH1A1 (0.55) ALDH1A1POLBHPGD
SCHEMBL19002584 0.74 HSD17B2 (0.60) TSPOHSD17B2KMT2AMAPK1MEN1

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 7 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
CN-101061098-A Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 — — 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 TSPO 225/4885HSD17B2 1902/4885KMT2A 1937/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 TSPO 153/4885HSD17B2 1511/4885KMT2A 1513/4885

“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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