SCHEMBL5445058

SCHEMBL5445058

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 2/20 0.54
▸ GRM2 Q14416 2/20 0.51
▸ CHRM5 P08912 2/20 0.48
▸ CMA1 P23946 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ABL1 P00519 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ SERPINE1 P05121 3/20 0.44
▸ HCRTR1 O43613 2/20 0.43
▸ HCRTR2 O43614 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PDE5A O76074 1/20 0.42

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 0.89 SDHB (0.54) SDHBGRM2CMA1LMNAALDH1A1
SCHEMBL5444680 0.87 SDHB (0.57) SDHBLMNAALDH1A1TP53PDE5A
SCHEMBL5444746 0.87 SERPINE1 (0.55) SDHBGRM2CHRM5SERPINE1HCRTR1
SCHEMBL5430703 0.85 CNR1 (0.52) SDHBGRM2CMA1ALDH1A1
SCHEMBL5448579 0.84 MEN1 (0.56) SDHBGRM2CMA1LMNAALDH1A1
SCHEMBL5435867 0.84 SDHB (0.50) SDHBGRM2CMA1LMNAALDH1A1
SCHEMBL15505109 0.84 SDHB (0.50) SDHBTP53
SCHEMBL5197153 0.83 SDHB (0.49) SDHBGRM2CMA1LMNATP53
SCHEMBL5196104 0.83 SDHB (0.49) SDHBGRM2CMA1LMNATP53
SCHEMBL5445050 0.82 HRH3 (0.55) SDHBLMNAALDH1A1TP53

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 SDHB 1074/4885GRM2 1/4885CHRM5 69/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 SDHB 1134/4885GRM2 1/4885CHRM5 128/4885

“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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