SCHEMBL5444851

SCHEMBL5444851

COc1ccc(-c2ccc(=O)n(Cc3ccc(C(F)(F)F)c(F)c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 8/20 0.52
▸ CYP11B1 P15538 2/20 0.49
▸ CYP11B2 P19099 2/20 0.49
▸ P2RX7 Q99572 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KIF11 P52732 1/20 0.41
▸ MKNK1 Q9BUB5 2/20 0.41
▸ MKNK2 Q9HBH9 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ BRD4 O60885 1/20 0.39

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
SCHEMBL5443008 0.87 SDHB (0.49) SDHBP2RX7TP53CNR1CNR2
SCHEMBL5441499 0.85 SDHB (0.54) SDHBTP53ALDH1A1MKNK1MKNK2
SCHEMBL5445101 0.85 SDHB (0.48) SDHBP2RX7TP53CNR1CNR2
SCHEMBL5442655 0.84 SDHB (0.49) SDHBP2RX7TP53MKNK1MKNK2
SCHEMBL5444680 0.82 SDHB (0.57) SDHBTP53ALDH1A1MKNK1MKNK2
SCHEMBL5441351 0.81 P2RX7 (0.53) SDHBP2RX7TP53MKNK1MKNK2
SCHEMBL5445065 0.81 SDHB (0.54) SDHBTP53ALDH1A1LMNAMAPT
SCHEMBL5430703 0.80 CNR1 (0.52) SDHBALDH1A1CNR1CNR2MAPT
SCHEMBL5445058 0.80 SDHB (0.54) SDHBTP53ALDH1A1LMNA
SCHEMBL5439436 0.79 BRD4 (0.57) SDHBP2RX7TP53ALDH1A1MKNK1

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 1074/4885CYP11B1 1181/4885CYP11B2 1013/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 SDHB 1134/4885CYP11B1 1391/4885CYP11B2 971/4885

“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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