SCHEMBL12412697

SCHEMBL12412697

O=C(Nc1cccc(Oc2cncc(F)c2)c1)c1cccc(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.69
BRAF P15056 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
IDE P14735 1/20 0.48

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
SCHEMBL12412685 0.87 GRM5 (0.69) GRM5BRAFMEN1KMT2AIDE
SCHEMBL12504013 0.87 GRM5 (0.52) GRM5MEN1KMT2A
SCHEMBL12412194 0.87 KCNK3 (0.59) MEN1KMT2A
SCHEMBL12503617 0.87 GRM5 (0.52) GRM5BRAFMEN1KMT2A
SCHEMBL12412688 0.87 GRM5 (0.69) GRM5MEN1KMT2A
SCHEMBL12412710 0.86 GRM5 (0.82) GRM5BRAFMEN1KMT2AIDE
SCHEMBL12412679 0.86 GRM5 (0.66) GRM5BRAFMEN1KMT2A
SCHEMBL12412690 0.84 GRM5 (0.71) GRM5BRAF
SCHEMBL12412200 0.84 GRM5 (0.57) GRM5
SCHEMBL12412712 0.82 GRM5 (0.76) GRM5

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 1/4885BRAF 3421/4885MEN1 4564/4885

“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.