SCHEMBL12412657

SCHEMBL12412657

Cc1ccc(Oc2cc(Cl)cc(NC(=O)c3cccc(Cl)c3)c2)cn1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.66
KCNQ3 O43525 2/20 0.56
KCNQ2 O43526 2/20 0.56
KCNE1 P15382 2/20 0.56
KCNQ1 P51787 2/20 0.56
KCNQ5 Q9NR82 1/20 0.56
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MAPK10 P53779 1/20 0.52
CDK8 P49336 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49

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
SCHEMBL12412166 0.93 GRM5 (0.61) GRM5KCNQ3KCNQ2MAPTKMT2A
SCHEMBL12830277 0.91 GRM5 (0.55) GRM5KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL12412620 0.90 GRM5 (0.67) GRM5KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL12412167 0.88 GRM5 (0.52) GRM5KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL12412660 0.88 GRM5 (0.58) GRM5
SCHEMBL12412173 0.85 GRM5 (0.62) GRM5CDK8MEN1KMT2A
SCHEMBL1486126 0.84 GRM5 (0.81) GRM5KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2181753 0.82 GRM5 (0.80) GRM5KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL12504028 0.80 GRM5 (0.62) GRM5NPC1RAB9ACDK8TP53
SCHEMBL12412108 0.80 GRM5 (0.67) GRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501757-B2 Substituted phenylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2013-08-06 US disclosed
US-8501757-B2 Substituted phenylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2013-08-06 US disclosed
US-20110166158-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-07 US disclosed
US-20110166158-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-07 US disclosed
WO-2011035214-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2011-03-24 WO 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 (1 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-20110166158-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 GRM5 1/4885KCNQ3 494/4885KCNQ2 417/4885

“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.