SCHEMBL5435549

SCHEMBL5435549

COc1cccc(-c2ccc(=O)n(Cc3ccccc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.60
SIGMAR1 Q99720 4/20 0.58
TMEM97 Q5BJF2 3/20 0.58
HTR1A P08908 2/20 0.58
DRD4 P21917 2/20 0.58
HTR2C P28335 2/20 0.58
HTR2B P41595 2/20 0.58
SLC6A3 Q01959 2/20 0.58
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
OPRK1 P41145 1/20 0.58
HTR5A P47898 1/20 0.58
CHRM2 P08172 1/20 0.54
CHRM3 P20309 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54

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
SCHEMBL5435705 0.90 BRD4 (0.58) BRD4SIGMAR1TMEM97HTR1ADRD4
SCHEMBL5445050 0.86 HRH3 (0.55) BRD4SIGMAR1MKNK1MKNK2KMT2A
SCHEMBL20540833 0.85 MKNK1 (0.65) BRD4SIGMAR1TMEM97HTR1ADRD4
SCHEMBL5435624 0.85 MAPT (0.61) BRD4SIGMAR1KMT2ASDHBLMNA
SCHEMBL5441324 0.84 BRD4 (0.54) BRD4SIGMAR1TMEM97HTR1ADRD4
SCHEMBL5194802 0.84 MAPT (0.61) MKNK1MKNK2SDHBLMNATP53
SCHEMBL5444593 0.83 PDE4A (0.60) BRD4MKNK1MKNK2SDHBPDE4A
SCHEMBL5440967 0.82 MKNK1 (0.55) BRD4MKNK1MKNK2SDHBTP53
SCHEMBL5445259 0.81 MKNK1 (0.58) BRD4MKNK1MKNK2SDHBSERPINE1
SCHEMBL5437260 0.81 MKNK1 (0.60) BRD4SIGMAR1MKNK1MKNK2GRM2

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 1456/4885SIGMAR1 239/4885TMEM97 153/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 BRD4 1140/4885SIGMAR1 554/4885TMEM97 163/4885

“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.