SCHEMBL5431656

SCHEMBL5431656

COc1ccc(-c2ccc(=O)n(Cc3ccccc3C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPBWR1 P48145 1/20 0.46
▸ EDNRB P24530 1/20 0.43
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP12 P39900 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5441383 0.85 MAPT (0.57) MAPTMEN1KMT2ATSHRTP53
SCHEMBL5433228 0.85 MEN1 (0.54) MAPTMEN1KMT2ANPBWR1EDNRB
SCHEMBL5445050 0.82 HRH3 (0.55) MAPTKMT2AL3MBTL1LMNATP53
SCHEMBL5439738 0.81 MAPT (0.45) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL5445065 0.80 SDHB (0.54) MAPTMEN1KMT2ALMNATP53
SCHEMBL5448579 0.78 MEN1 (0.56) MAPTMEN1KMT2ALMNANPBWR1
SCHEMBL5437486 0.76 KMT2A (0.59) MAPTMEN1KMT2ALMNANPBWR1
SCHEMBL14410409 0.76 CREBBP (0.46) TSHRTP53ALDH1A1
SCHEMBL5435624 0.76 MAPT (0.61) MAPTMEN1KMT2ALMNATP53
SCHEMBL5442659 0.75 PTGDR2 (0.52) MAPTMEN1KMT2AALDH1A1

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 2615/4885MEN1 3509/4885KMT2A 1937/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MAPT 2062/4885MEN1 3869/4885KMT2A 1513/4885

“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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