SCHEMBL6918581

SCHEMBL6918581

CN(c1cncnc1)c1cc(Cl)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.59
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
BRD4 O60885 1/20 0.46
MAPT P10636 1/20 0.46
AGER Q15109 1/20 0.46
KCNMA1 Q12791 1/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6918266 0.89 GRM5 (0.55) GRM5NPC1RAB9ASMN1; SMN2AGER
SCHEMBL6919031 0.87 GRM5 (0.69) GRM5NPC1RAB9ASMN1; SMN2BRD4
SCHEMBL6918568 0.83 MEN1 (0.59) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6918727 0.82 GRM5 (0.77) GRM5NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8797071 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BRD4MAPT
SCHEMBL6918332 0.79 GRM5 (0.66) GRM5
SCHEMBL6918108 0.78 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL6918190 0.77 GRM5 (0.64) GRM5
SCHEMBL6919148 0.77 GRM5 (0.67) GRM5
SCHEMBL6919092 0.76 GRM5 (0.55) GRM5NPC1RAB9ASMN1; SMN2AGER

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 1/4885NPC1 2582/4885RAB9A 1518/4885

“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.