SCHEMBL5439922

SCHEMBL5439922

COc1ccc(Cn2ccc(-c3ccccc3)c(C#N)c2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.73
KDM4E B2RXH2 10/20 0.73
POLB P06746 2/20 0.73
MAPK1 P28482 2/20 0.64
GRM2 Q14416 5/20 0.63
MAPT P10636 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 2/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.48
CRHBP P24387 1/20 0.48
RAB9A P51151 1/20 0.48
CRHR2 Q13324 1/20 0.48
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL5430782 0.86 ALDH1A1 (0.79) ALDH1A1KDM4EPOLBMAPK1GRM2
SCHEMBL11582916 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBMAPK1GRM2
SCHEMBL10965244 0.80 GRM2 (0.51) ALDH1A1KDM4EPOLBMAPK1GRM2
SCHEMBL9356586 0.76 KDM4E (0.56) ALDH1A1KDM4EPOLBMAPK1MAPT
SCHEMBL2572052 0.74 LMNA (0.48) POLBMAPTTP53LMNA
SCHEMBL5435680 0.72 ALDH1A1 (0.71) ALDH1A1KDM4EPOLBMAPK1GRM2
SCHEMBL30662030 0.72 ALDH1A1 (0.56) ALDH1A1KDM4EGRM2MAPTMEN1
SCHEMBL171698 0.71 LMNA (0.51) ALDH1A1KDM4EPOLBGRM2MAPT
SCHEMBL16793353 0.71 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBMAPK1GRM2
SCHEMBL3223243 0.71 MAPT (0.57) KDM4EPOLBGRM2MAPTMEN1

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
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 CN 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
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 CN disclosed
CN-101061098-A Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 CN 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 ALDH1A1 3403/4885KDM4E 1936/4885POLB 3102/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 ALDH1A1 2717/4885KDM4E 1707/4885POLB 3096/4885

“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.