SCHEMBL12412290

SCHEMBL12412290

O=C(Nc1cccc(Oc2cccnc2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.71
TSHR P16473 1/20 0.71
KMT2A Q03164 1/20 0.71
CSF1R P07333 5/20 0.63
BRAF P15056 3/20 0.63
NPC1 O15118 1/20 0.61
TNF P01375 1/20 0.61
RAB9A P51151 1/20 0.61
NOD1 Q9Y239 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
GRM5 P41594 2/20 0.60
EPHX2 P34913 1/20 0.60
KIT P10721 2/20 0.60
KDR P35968 2/20 0.60
PDGFRB P09619 1/20 0.60
FGFR1 P11362 1/20 0.60
PDGFRA P16234 1/20 0.60
FLT1 P17948 1/20 0.60
FGFR3 P22607 1/20 0.60
TEK Q02763 1/20 0.60

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
SCHEMBL12412133 0.91 GRM5 (0.61) MEN1TSHRKMT2ACSF1RBRAF
SCHEMBL12412623 0.85 GRM5 (0.64) TSHRKMT2ACSF1RBRAFGRM5
SCHEMBL2857312 0.84 CDK8 (0.79) BRAFL3MBTL1KITKDRPDGFRB
SCHEMBL6927410 0.84 GRM5 (0.74) MEN1TSHRKMT2AGRM5KDR
SCHEMBL5178391 0.83 MEN1 (1.00) MEN1TSHRKMT2ACSF1RBRAF
SCHEMBL14527449 0.83 TLR7 (0.54) MEN1TSHRKMT2ACSF1RBRAF
SCHEMBL12830517 0.83 GRM5 (0.64) TSHRKMT2AGRM5LMNA
SCHEMBL12412125 0.83 ALDH1A1 (0.80) TSHRCSF1RNPC1RAB9AGRM5
SCHEMBL12412116 0.83 GRM5 (0.67) TSHRCSF1RBRAFGRM5MAPT
SCHEMBL12412616 0.83 GRM5 (0.85) MEN1TSHRKMT2ACSF1RBRAF

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 MEN1 4564/4885TSHR 771/4885KMT2A 637/4885

“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.