SCHEMBL5440272

SCHEMBL5440272

O=c1ccc(CCc2ccccc2)cn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.53
BRD2 P25440 1/20 0.53
BRD3 Q15059 1/20 0.53
BRDT Q58F21 1/20 0.53
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
IDH1 O75874 2/20 0.44
POLB P06746 1/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
ELANE P08246 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
CTRC Q99895 1/20 0.44
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL15807130 0.84 BRD4 (0.55) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL27772274 0.79 MAPT (0.63) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL6429785 0.78 BRD4 (0.53) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL266595 0.78 BRD4 (0.56) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL17420665 0.78 BRD4 (0.53) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL29821531 0.78 BRD4 (0.56) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL19939512 0.78 BRD4 (0.53) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL5445259 0.78 MKNK1 (0.58) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL16466424 0.78 BRD4 (0.53) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL7686117 0.75 IDH1 (0.58) BRD4BRD2BRD3BRDTALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 EP 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 claimed
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 EP disclosed
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 1456/4885BRD2 1826/4885BRD3 2551/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 BRD4 1140/4885BRD2 1386/4885BRD3 2629/4885

“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.