SCHEMBL5433988

SCHEMBL5433988

COc1ccc(-c2ccc(=O)n(Cc3c(F)cc(F)cc3F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTGDR2 Q9Y5Y4 5/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GRM2 Q14416 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL5442659 0.85 PTGDR2 (0.52) SDHBMEN1KMT2APTGDR2SMN1; SMN2
SCHEMBL5430703 0.81 CNR1 (0.52) SDHBMEN1KMT2APTGDR2SMN1; SMN2
SCHEMBL5443008 0.81 SDHB (0.49) SDHBCNR1CNR2BRD4PDE5A
SCHEMBL5439436 0.80 BRD4 (0.57) SDHBBRD4MKNK1MKNK2
SCHEMBL5441383 0.79 MAPT (0.57) MEN1KMT2ASMN1; SMN2MKNK1MKNK2
SCHEMBL5445065 0.79 SDHB (0.54) SDHBMEN1KMT2ASMN1; SMN2PDE5A
SCHEMBL5445101 0.79 SDHB (0.48) SDHBCNR1CNR2BRD4PDE5A
SCHEMBL5197304 0.78 MAPT (0.49) SDHBMEN1KMT2APTGDR2SMN1; SMN2
SCHEMBL5442655 0.78 SDHB (0.49) SDHBMEN1KMT2ACNR1CNR2
SCHEMBL5441351 0.78 P2RX7 (0.53) SDHBMKNK1MKNK2

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 1074/4885MEN1 3509/4885KMT2A 1937/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 SDHB 1134/4885MEN1 3869/4885KMT2A 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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