SCHEMBL2180295

SCHEMBL2180295

O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.71
SMN1; SMN2 Q16637 4/20 0.67
LMNA P02545 3/20 0.67
HTT P42858 3/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 1/20 0.57
P2RY2 P41231 1/20 0.55
GPR17 Q13304 1/20 0.55

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
SCHEMBL16430909 0.89 MEN1 (0.68) GRM5SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL1486126 0.87 GRM5 (0.81) GRM5SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL17104295 0.85 SMN1; SMN2 (0.69) GRM5SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL12412364 0.85 GRM5 (0.78) GRM5SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL4475032 0.85 SMN1; SMN2 (0.60) GRM5SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL12412616 0.84 GRM5 (0.85) GRM5SMN1; SMN2CYP1A2CYP2C9MEN1
SCHEMBL12412612 0.84 GRM5 (0.77) GRM5SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL1486158 0.84 GRM5 (0.77) GRM5SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL12412646 0.84 GRM5 (0.77) GRM5MEN1KMT2A
SCHEMBL1487647 0.83 GRM5 (1.00) GRM5ALDH1A1MEN1KMT2A

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 7 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-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
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 1/4885SMN1; SMN2 2080/4885LMNA 4454/4885

“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.