SCHEMBL5439645

SCHEMBL5439645

O=c1ccc(-c2cccs2)cn1Cc1ccc(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
HTR2A P28223 1/20 0.49
MAPT P10636 2/20 0.41
LTA4H P09960 1/20 0.40
P2RX7 Q99572 1/20 0.40
BRD4 O60885 2/20 0.39
MKNK1 Q9BUB5 4/20 0.39
MKNK2 Q9HBH9 4/20 0.39
ERN1 O75460 1/20 0.38
TNFRSF1A P19438 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL5433919 0.79 PTGDR2 (0.48) DRD2DRD4MAPTBRD4MKNK1
SCHEMBL3859168 0.74 LTA4H (0.47) LTA4HERN1CYP17A1CYP11B1CYP11B2
SCHEMBL5443065 0.73 BRD4 (0.42) MAPTP2RX7BRD4MKNK1MKNK2
SCHEMBL5438422 0.73 SDHB (0.48) MAPTP2RX7BRD4MKNK1MKNK2
SCHEMBL5443008 0.73 SDHB (0.49) MAPTP2RX7BRD4
SCHEMBL5435803 0.72 MAPT (0.51) MAPTP2RX7BRD4ALDH1A1HTT
SCHEMBL5441324 0.72 BRD4 (0.54) DRD4MAPTP2RX7BRD4MKNK1
SCHEMBL16275120 0.72 MAPT (0.42) MAPTP2RX7BRD4MKNK1MKNK2
SCHEMBL3865465 0.72 LTA4H (0.40) LTA4HERN1CYP17A1CYP11B1CYP11B2
SCHEMBL6318301 0.71 KCNH2 (0.55) MAPTLTA4HERN1TNFRSF1ACYP17A1

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 DRD2 148/4885DRD4 428/4885HTR2A 41/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 DRD2 179/4885DRD4 464/4885HTR2A 32/4885

“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.