SCHEMBL5442735

SCHEMBL5442735

COc1ccc(-c2ccc(=O)n(CCCC(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.45
▸ SDHB P21912 1/20 0.41
▸ BMPR1A P36894 1/20 0.41
▸ ACVRL1 P37023 1/20 0.41
▸ ACVR1 Q04771 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SCN5A Q14524 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ ASH1L Q9NR48 1/20 0.39
▸ MGAT2 Q10469 1/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PDE5A O76074 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
SCHEMBL5437516 0.83 TLR8 (0.49) PTGDR2ALDH1A1BRD4BACE1TLR8
SCHEMBL5450906 0.82 BRD4 (0.41) PTGDR2SDHBBMPR1AACVRL1ACVR1
SCHEMBL5434732 0.82 TLR8 (0.54) BRD4BACE1TLR8
SCHEMBL14410409 0.79 CREBBP (0.46) PTGDR2SDHBBMPR1AACVRL1ACVR1
SCHEMBL5440660 0.78 MAOB (0.41) PTGDR2SDHBALDH1A1BRD4BACE1
SCHEMBL5449024 0.77 SIGMAR1 (0.54) PTGDR2ALDH1A1
SCHEMBL5439934 0.76 SIGMAR1 (0.50) PTGDR2
SCHEMBL5435873 0.76 GRM2 (0.52) ACVRL1ACVR1ALDH1A1BRD4BACE1
SCHEMBL5439611 0.75 GSK3A (0.47) ALDH1A1
SCHEMBL5445065 0.74 SDHB (0.54) SDHBALDH1A1TP53PDE5A

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 3 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 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 PTGDR2 85/4885SDHB 1074/4885BMPR1A 629/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 PTGDR2 78/4885SDHB 1134/4885BMPR1A 877/4885

“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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