SCHEMBL5441458

SCHEMBL5441458

COc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46
▸ MKNK1 Q9BUB5 2/20 0.41
▸ MKNK2 Q9HBH9 2/20 0.41
▸ NAAA Q02083 1/20 0.40
▸ SDHB P21912 2/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ NLRP3 Q96P20 2/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ P2RX7 Q99572 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 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
SCHEMBL5433766 0.93 NAAA (0.47) MAPTHCRTR1HCRTR2MKNK1MKNK2
SCHEMBL5435948 0.91 MAPT (0.45) MAPTHCRTR1HCRTR2MKNK1MKNK2
SCHEMBL5197304 0.86 MAPT (0.49) MAPTHCRTR1HCRTR2MKNK1MKNK2
SCHEMBL5433829 0.83 MAPT (0.46) MAPTHCRTR1HCRTR2MKNK1MKNK2
SCHEMBL5184363 0.81 KDR (0.45) MAPTMKNK1MKNK2PTGDR2
SCHEMBL5184935 0.80 MAPT (0.52) MAPTMKNK1MKNK2PTGDR2ABCB1
SCHEMBL8264087 0.80 MAPT (0.52) MAPTMKNK1MKNK2PTGDR2TP53
SCHEMBL5439446 0.79 MAPT (0.44) MAPTMKNK1MKNK2PTGDR2BRD4
SCHEMBL16275048 0.79 MAPT (0.51) MAPTMKNK1MKNK2SDHBPTGDR2
Hydrochloric Acid SCHEMBL5184655 0.79 MAPT (0.51) MAPTMKNK1MKNK2PTGDR2TP53

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 MAPT 2615/4885HCRTR1 201/4885HCRTR2 160/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MAPT 2062/4885HCRTR1 343/4885HCRTR2 184/4885

“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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