SCHEMBL6918822

SCHEMBL6918822

Cc1csc(NC(=O)c2cccc(Oc3cncnc3)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.79
GRM5 P41594 4/20 0.72
CYP3A4 P08684 2/20 0.72
DRD3 P35462 1/20 0.72
SLC6A3 Q01959 1/20 0.72
NPC1 O15118 1/20 0.71
HPGD P15428 1/20 0.71
RAB9A P51151 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71

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
SCHEMBL1982064 0.90 GRM5 (0.84) GCKGRM5NPC1HPGDRAB9A
SCHEMBL30357434 0.83 GRM5 (1.00) GCKGRM5CYP3A4DRD3SLC6A3
SCHEMBL1487938 0.83 GRM5 (1.00) GCKGRM5CYP3A4DRD3SLC6A3
SCHEMBL6918595 0.83 GRM5 (1.00) GRM5CYP3A4DRD3SLC6A3
SCHEMBL6927216 0.82 GRM5 (1.00) GRM5CYP3A4DRD3SLC6A3
SCHEMBL2191983 0.81 GRM5 (1.00) GCKGRM5CYP3A4DRD3SLC6A3
SCHEMBL6918739 0.80 RAB9A (0.66) GRM5NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1982589 0.79 GRM5 (0.72) GCKGRM5NPC1HPGDRAB9A
SCHEMBL8560618 0.78 GCK (0.79) GCKGRM5NPC1HPGDRAB9A
SCHEMBL6918101 0.78 GRM5 (0.78) GCKGRM5CYP3A4DRD3SLC6A3

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 GCK 933/4885GRM5 1/4885CYP3A4 3527/4885

“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.