SCHEMBL5433847

SCHEMBL5433847

O=c1ccc(-c2ccc3c(c2)CCO3)cn1Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
MCHR1 Q99705 1/20 0.43
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
FABP6 P51161 1/20 0.41
DYRK1A Q13627 1/20 0.41
LYPLAL1 Q5VWZ2 1/20 0.41
P2RX3 P56373 3/20 0.41
ERN1 O75460 2/20 0.41
SDHB P21912 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 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
SCHEMBL5440306 0.89 MKNK1 (0.49) GSK3BPKMMKNK1MKNK2DYRK1A
SCHEMBL5445096 0.87 ERN1 (0.45) GSK3BMAPTMCHR1MKNK1MKNK2
SCHEMBL29776794 0.78 GSK3B (0.47) GSK3BMAPTDYRK1ALYPLAL1ALDH1A1
SCHEMBL23297223 0.78 GSK3B (0.47) GSK3BMAPTDYRK1ALYPLAL1ALDH1A1
SCHEMBL27310561 0.77 DYRK1A (0.58) GSK3BMAPTPKMDYRK1AERN1
SCHEMBL5433212 0.72 ALDH1A1 (0.53) MAPTMKNK1MKNK2FABP6SDHB
SCHEMBL5094916 0.72 GSK3B (0.44) GSK3BMAPTDYRK1ALYPLAL1P2RX3
SCHEMBL5439522 0.72 MAPT (0.53) MAPTFABP6ALDH1A1SMN1; SMN2MEN1
SCHEMBL5095060 0.71 GSK3B (0.46) GSK3BP2RX3
SCHEMBL5443007 0.71 MKNK1 (0.48) MAPTMKNK1MKNK2FABP6SDHB

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 GSK3B 1323/4885MAPT 2615/4885PKM 1450/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 GSK3B 1493/4885MAPT 2062/4885PKM 1373/4885

“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.