SCHEMBL12412124

SCHEMBL12412124

Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C)nc3)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.66
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CDK8 P49336 2/20 0.60
KMT2A Q03164 3/20 0.60
KCNK3 O14649 6/20 0.59
KCNK9 Q9NPC2 5/20 0.59
KCNH2 Q12809 1/20 0.59
MEN1 O00255 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
POLB P06746 1/20 0.55
KDR P35968 3/20 0.55
FLT1 P17948 1/20 0.55
FGFR1 P11362 1/20 0.54

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
SCHEMBL12412620 0.89 GRM5 (0.67) GRM5MAPTCDK8KMT2AKCNK3
SCHEMBL12504028 0.88 GRM5 (0.62) GRM5CYP1A2CYP3A4GAAMAPT
SCHEMBL12412116 0.87 GRM5 (0.67) GRM5CYP1A2CYP3A4GAAMAPT
SCHEMBL12412166 0.87 GRM5 (0.61) GRM5CYP1A2CYP3A4GAAMAPT
SCHEMBL6014847 0.85 KMT2A (0.65) GRM5KMT2AMEN1
SCHEMBL12412170 0.83 GRM5 (0.65) GRM5CYP1A2CYP3A4GAAMAPT
SCHEMBL12503387 0.82 CYP1A2 (0.62) GRM5CYP1A2CYP3A4GAAMAPT
SCHEMBL12412121 0.81 KMT2A (0.63) CYP1A2CYP3A4GAAMAPTCYP2C9
SCHEMBL15472305 0.80 CYP1A2 (0.62) CYP1A2CYP3A4GAAMAPTCYP2C9
SCHEMBL6926128 0.80 GRM5 (1.00) GRM5KMT2A

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 3 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-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

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 1/4885CYP1A2 3957/4885CYP3A4 3212/4885

“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.