SCHEMBL5448579

SCHEMBL5448579

COc1ccc(-c2ccc(=O)n(Cc3ccc(C)cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SDHB P21912 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ CMA1 P23946 1/20 0.47
▸ GRM2 Q14416 1/20 0.47
▸ IDH1 O75874 1/20 0.47
▸ RGS4 P49798 1/20 0.47
▸ MCHR1 Q99705 2/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ PDE5A O76074 1/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ NPBWR1 P48145 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL5445065 0.94 SDHB (0.54) MEN1NPC1RAB9AKMT2ASDHB
SCHEMBL5435867 0.89 SDHB (0.50) SDHBMAPTCMA1GRM2PDE5A
SCHEMBL8276905 0.88 CMA1 (0.53) MEN1NPC1RAB9AKMT2ASDHB
SCHEMBL5196104 0.87 SDHB (0.49) MEN1NPC1RAB9AKMT2ASDHB
SCHEMBL5430703 0.87 CNR1 (0.52) MEN1KMT2ASDHBMAPTCMA1
SCHEMBL5197153 0.87 SDHB (0.49) MEN1NPC1RAB9AKMT2ASDHB
SCHEMBL5445050 0.87 HRH3 (0.55) NPC1RAB9AKMT2ASDHBMAPT
SCHEMBL5441396 0.86 GRM2 (0.49) MEN1NPC1RAB9AKMT2ASDHB
SCHEMBL5445058 0.84 SDHB (0.54) SDHBCMA1GRM2PDE5ALMNA
SCHEMBL5436912 0.84 SDHB (0.47) MEN1NPC1RAB9AKMT2ASDHB

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 MEN1 3509/4885NPC1 3587/4885RAB9A 1832/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MEN1 3869/4885NPC1 3908/4885RAB9A 2044/4885

“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.

Send feedback