SCHEMBL6918338

SCHEMBL6918338

Cc1csc(NC(=O)c2cc(F)cc(N(C)c3cccnc3)c2)n1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.78
CYP3A4 P08684 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
MAPT P10636 3/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GCK P35557 3/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 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
SCHEMBL6918542 0.88 GRM5 (0.61) GRM5CYP3A4MAPTNPC1RAB9A
SCHEMBL1979922 0.88 GRM5 (1.00) GRM5CYP3A4DRD3SLC6A3MAPT
SCHEMBL6918545 0.88 GRM5 (0.60) GRM5MAPTNPC1RAB9AGCK
SCHEMBL6919206 0.87 GRM5 (0.59) GRM5CYP3A4DRD3SLC6A3LMNA
SCHEMBL6919092 0.84 GRM5 (0.55) GRM5NPC1RAB9AMEN1LMNA
SCHEMBL2194089 0.81 GRM5 (0.81) GRM5MAPTNPC1RAB9AGCK
SCHEMBL1982589 0.79 GRM5 (0.72) GRM5MAPTNPC1RAB9AGCK
SCHEMBL6918727 0.76 GRM5 (0.77) GRM5CYP3A4DRD3SLC6A3MAPT
SCHEMBL6919090 0.75 GRM5 (0.44) GRM5RAB9ALMNAKDM4EGAA
SCHEMBL29236353 0.75 MAPT (0.57) GRM5CYP3A4DRD3SLC6A3MAPT

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-8796295-B2 Substituted benzamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2014-08-05 US disclosed
US-20110152299-A1 SUBSTITUTED BENZAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-23 US disclosed
WO-2011035209-A1 SUBSTITUTED BENZAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSTIY (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-20110152299-A1 SUBSTITUTED BENZAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRIN2A GRM5 1/4885CYP3A4 3527/4885DRD3 412/4885

“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.