SCHEMBL12411963

SCHEMBL12411963

Cc1cccc(C(=O)Nc2cc(F)cc(N(C)c3cccnc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.60
CSF1R P07333 2/20 0.53
NT5E P21589 1/20 0.52
BRAF P15056 3/20 0.52
TDP1 Q9NUW8 1/20 0.51
KCNK3 O14649 4/20 0.50
KCNK9 Q9NPC2 3/20 0.50
MEN1 O00255 1/20 0.49
GALR2 O43603 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNH2 Q12809 1/20 0.47

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
SCHEMBL12412008 0.89 GRM5 (0.59) GRM5NT5EKCNK3KCNK9MEN1
SCHEMBL12412756 0.89 GRM5 (0.66) GRM5CSF1RBRAFMEN1KMT2A
SCHEMBL12412759 0.89 GRM5 (0.77) GRM5CSF1RBRAFMEN1LMNA
SCHEMBL12830299 0.89 GRM5 (0.59) GRM5CSF1RBRAFTDP1MAPT
SCHEMBL12411966 0.88 GRM5 (0.66) GRM5CSF1RNT5EBRAFTDP1
SCHEMBL12416470 0.87 GRM5 (0.78) GRM5CSF1RNT5EBRAFTDP1
SCHEMBL12411964 0.87 GRM5 (0.50) GRM5CSF1RNT5EBRAFTDP1
SCHEMBL12411975 0.86 GRM5 (0.64) GRM5CSF1RBRAFTDP1
SCHEMBL12412757 0.86 GRM5 (0.79) GRM5CSF1RBRAF
SCHEMBL12412451 0.83 KCNK3 (0.58) GRM5CSF1RNT5EBRAFKCNK3

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 2 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

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 1/4885CSF1R 3510/4885NT5E 578/4885

“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.