SCHEMBL5433766

SCHEMBL5433766

COc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ MKNK1 Q9BUB5 2/20 0.41
▸ MKNK2 Q9HBH9 2/20 0.41
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ NLRP3 Q96P20 2/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ P2RX7 Q99572 2/20 0.38
▸ CYP17A1 P05093 1/20 0.38
▸ FAAH O00519 1/20 0.37

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
SCHEMBL5441458 0.93 MAPT (0.47) NAAAMAPTHCRTR1HCRTR2MKNK1
SCHEMBL5435948 0.91 MAPT (0.45) NAAAMAPTHCRTR1HCRTR2MKNK1
SCHEMBL5197304 0.86 MAPT (0.49) MAPTHCRTR1HCRTR2MKNK1MKNK2
SCHEMBL5433829 0.83 MAPT (0.46) MAPTHCRTR1HCRTR2MKNK1MKNK2
SCHEMBL5184363 0.81 KDR (0.45) MAPTMKNK1MKNK2PTGDR2
SCHEMBL8264087 0.80 MAPT (0.52) MAPTMKNK1MKNK2PTGDR2ALDH1A1
SCHEMBL5184935 0.80 MAPT (0.52) MAPTMKNK1MKNK2PTGDR2ABCB1
SCHEMBL5437171 0.79 MAPT (0.44) MAPTMKNK1MKNK2PTGDR2
SCHEMBL5439446 0.79 MAPT (0.44) MAPTMKNK1MKNK2PTGDR2L3MBTL1
Hydrochloric Acid SCHEMBL5184655 0.79 MAPT (0.51) MAPTMKNK1MKNK2PTGDR2ALDH1A1

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 NAAA 3488/4885MAPT 2615/4885HCRTR1 201/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 NAAA 3229/4885MAPT 2062/4885HCRTR1 343/4885

“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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