SCHEMBL5435836

SCHEMBL5435836

O=c1ccc(-c2ccc(CO)cc2)cn1Cc1ccc(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ PTGDR2 Q9Y5Y4 5/20 0.41
▸ MKNK1 Q9BUB5 6/20 0.41
▸ MKNK2 Q9HBH9 6/20 0.41
▸ SDHB P21912 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CXCR3 P49682 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 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
SCHEMBL5437175 0.88 MAPT (0.50) MAPTPTGDR2MKNK1MKNK2SDHB
SCHEMBL5184935 0.88 MAPT (0.52) MAPTPTGDR2MKNK1MKNK2ALDH1A1
SCHEMBL27690836 0.85 MAPT (0.45) MAPTPTGDR2MKNK1MKNK2SDHB
SCHEMBL8264087 0.85 MAPT (0.52) MAPTPTGDR2MKNK1MKNK2ALDH1A1
SCHEMBL27690837 0.84 MAPT (0.44) MAPTPTGDR2MKNK1MKNK2SDHB
SCHEMBL5430785 0.84 MAPT (0.44) MAPTPTGDR2ALDH1A1SMN1; SMN2GAA
SCHEMBL16275048 0.84 MAPT (0.51) MAPTPTGDR2MKNK1MKNK2SDHB
Hydrochloric Acid SCHEMBL5184655 0.84 MAPT (0.51) MAPTPTGDR2MKNK1MKNK2ALDH1A1
SCHEMBL5439772 0.83 MAPT (0.44) MAPTPTGDR2ALDH1A1SMN1; SMN2GAA
SCHEMBL5440937 0.83 MAPT (0.50) MAPTPTGDR2MKNK1MKNK2SDHB

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 2615/4885PTGDR2 85/4885MKNK1 2293/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MAPT 2062/4885PTGDR2 78/4885MKNK1 1868/4885

“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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