SCHEMBL5440299

SCHEMBL5440299

Cc1ccc(Cn2cc(-c3ccccc3)ccc2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.54
PTGDR2 Q9Y5Y4 4/20 0.49
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
CREBBP Q92793 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
BRDT Q58F21 1/20 0.47
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
S1PR1 P21453 1/20 0.46

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
SCHEMBL5437566 0.95 BRD4 (0.59) BRD4PTGDR2MKNK1MKNK2CREBBP
SCHEMBL5445259 0.89 MKNK1 (0.58) BRD4PTGDR2MKNK1MKNK2CREBBP
SCHEMBL5439647 0.88 MAPT (0.49) BRD4PTGDR2MKNK1MKNK2MAPT
SCHEMBL5433212 0.86 ALDH1A1 (0.53) BRD4PTGDR2MKNK1MKNK2CREBBP
SCHEMBL5439606 0.84 CREBBP (0.56) BRD4PTGDR2MKNK1MKNK2CREBBP
SCHEMBL5440967 0.84 MKNK1 (0.55) BRD4PTGDR2MKNK1MKNK2CREBBP
SCHEMBL5448579 0.84 MEN1 (0.56) NPC1RAB9AMAPTTP53LMNA
SCHEMBL266595 0.82 BRD4 (0.56) BRD4PTGDR2MKNK1MKNK2RAB9A
SCHEMBL5438403 0.81 MKNK1 (0.54) BRD4PTGDR2MKNK1MKNK2CREBBP
SCHEMBL5435554 0.79 PTGDR2 (0.54) BRD4PTGDR2MKNK1MKNK2CREBBP

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 BRD4 1456/4885PTGDR2 85/4885MKNK1 2293/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 BRD4 1140/4885PTGDR2 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.