SCHEMBL12412136

SCHEMBL12412136

O=C(Nc1cccc(Oc2cccnc2)c1)c1ncccc1F

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.58
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL12412644 0.89 GRM5 (0.56) GRM5NPC1GAAHPGDRAB9A
SCHEMBL12412146 0.87 GRM5 (0.54) GRM5NPC1GAAHPGDRAB9A
SCHEMBL12412357 0.87 GRM5 (0.54) GRM5NPC1GAAHPGDRAB9A
SCHEMBL12412130 0.82 GRM5 (0.71) GRM5
SCHEMBL4481536 0.82 CYP11B1 (0.69) GRM5NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL12412623 0.80 GRM5 (0.64) GRM5LMNATSHRSMN1; SMN2
SCHEMBL12412158 0.80 GRM5 (0.53) GRM5
SCHEMBL12412183 0.80 GRM5 (0.65) GRM5NPC1GAAHPGDRAB9A
SCHEMBL12412630 0.79 GRM4 (0.65) GRM5NPC1GAAHPGDRAB9A
SCHEMBL12412140 0.79 GRM5 (0.59) GRM5NPC1RAB9ATSHRSMN1; SMN2

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 1/4885NPC1 2517/4885GAA 2518/4885

“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.