SCHEMBL5435932

SCHEMBL5435932

O=c1ccc(-c2cc3ccccc3o2)cn1Cc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.48
▸ MKNK1 Q9BUB5 2/20 0.43
▸ MKNK2 Q9HBH9 2/20 0.43
▸ S1PR1 P21453 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PTPRC P08575 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 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
SCHEMBL5439440 0.80 PTGDR2 (0.58) PTGDR2MKNK1MKNK2MAPTSMN1; SMN2
SCHEMBL5448954 0.78 PTGDR2 (0.56) PTGDR2MKNK1MKNK2MAPTSMN1; SMN2
SCHEMBL5433177 0.73 MAPT (0.55) PTGDR2MKNK1MKNK2MAPTHPGD
SCHEMBL5433919 0.72 PTGDR2 (0.48) PTGDR2MKNK1MKNK2MAPTSMN1; SMN2
SCHEMBL5442659 0.71 PTGDR2 (0.52) PTGDR2MKNK1MKNK2MAPTMAOB
SCHEMBL2487587 0.70 CHRM1 (0.57) S1PR1S1PR3PTPRCPTPN1MAOB
SCHEMBL4448895 0.70 MAOB (0.68) PTPRCPTPN1MAOBGABRPGABRD
SCHEMBL14308478 0.70 CHRM1 (0.47) S1PR1S1PR3MAPTPTPRCPTPN1
SCHEMBL15815630 0.69 BRD4 (0.70) PTGDR2
SCHEMBL2487590 0.69 S1PR1 (0.42) S1PR1S1PR3PTPRCPTPN1MAOB

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 PTGDR2 85/4885MKNK1 2293/4885MKNK2 1366/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 PTGDR2 78/4885MKNK1 1868/4885MKNK2 1100/4885

“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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