SCHEMBL12412918

SCHEMBL12412918

O=[N+]([O-])c1cccc(Nc2cccnc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
MEN1 O00255 3/20 0.70
ABL1 P00519 3/20 0.64
BCR P11274 3/20 0.64
PRKCA P17252 3/20 0.64
EGFR P00533 1/20 0.64
SRC P12931 1/20 0.64
TLR4 O00206 1/20 0.60
TLR2 O60603 1/20 0.60
ABCG2 Q9UNQ0 2/20 0.57
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
POLB P06746 3/20 0.54
CTDSP1 Q9GZU7 2/20 0.54
CDK5 Q00535 1/20 0.54
CDK5R1 Q15078 1/20 0.54
ROCK1 Q13464 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL4187385 0.88 ABL1 (0.65) KMT2AMEN1ABL1BCRPRKCA
SCHEMBL394734 0.85 KMT2A (0.67) KMT2AMEN1ABCG2ALDH1A1MAPT
SCHEMBL1883622 0.84 ABL1 (0.61) KMT2AMEN1ABL1BCRPRKCA
SCHEMBL13037068 0.84 HPGD (0.66) KMT2AMEN1TLR4TLR2ABCG2
SCHEMBL26310114 0.83 ROCK1 (0.52) KMT2AMEN1ABL1BCRPRKCA
SCHEMBL3180203 0.82 KMT2A (1.00) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL2285411 0.81 ABL1 (0.69) KMT2AMEN1ABL1BCRPRKCA
SCHEMBL4158167 0.81 KMT2A (0.51) KMT2AMEN1ABL1BCRPRKCA
SCHEMBL4148401 0.80 ABL1 (0.58) KMT2AMEN1ABL1BCRPRKCA
SCHEMBL2717131 0.80 HPGD (0.69) KMT2AMEN1ABCG2ALDH1A1MAPT

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-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
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 KMT2A 637/4885MEN1 4564/4885ABL1 3231/4885

“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.