SCHEMBL12412779

SCHEMBL12412779

CN(c1cncnc1)c1cccc(NC(=O)c2cccc(Br)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.83
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CSF1R P07333 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 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
SCHEMBL2193262 0.91 GRM5 (1.00) GRM5SMN1; SMN2CSF1RMEN1KMT2A
SCHEMBL12412670 0.90 GRM5 (0.85) GRM5ALDH1A1SMN1; SMN2L3MBTL1CSF1R
SCHEMBL12411995 0.87 GRM5 (0.64) GRM5CSF1RMEN1KMT2A
SCHEMBL12412769 0.87 GRM5 (0.70) GRM5ALDH1A1SMN1; SMN2L3MBTL1CSF1R
SCHEMBL12412780 0.86 GRM5 (0.62) GRM5CSF1RMEN1KMT2A
SCHEMBL12412776 0.86 GRM5 (0.83) GRM5CSF1RMEN1KMT2A
SCHEMBL12503368 0.86 GRM5 (0.62) GRM5CSF1R
SCHEMBL12830501 0.86 GRM5 (0.62) GRM5CSF1R
SCHEMBL12412009 0.84 TSHR (0.61) GRM5ALDH1A1SMN1; SMN2CSF1RMEN1
SCHEMBL12412774 0.84 GRM5 (0.67) GRM5ALDH1A1SMN1; SMN2L3MBTL1CSF1R

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 1/4885ALDH1A1 4670/4885SMN1; SMN2 2080/4885

“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.