SCHEMBL6918739

SCHEMBL6918739

O=C(Nc1nccs1)c1cccc(Oc2cncnc2)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.66
NPC1 O15118 6/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HPGD P15428 1/20 0.66
KCNK3 O14649 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.56
GRM5 P41594 3/20 0.55
NPSR1 Q6W5P4 1/20 0.53
SCD O00767 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
ESR2 Q92731 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL6919419 0.91 NPC1 (0.66) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL6918104 0.83 GRM5 (0.67) GRM5
SCHEMBL6927215 0.82 GRM5 (0.71) GRM5
SCHEMBL12021592 0.82 RAB9A (0.64) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL30099022 0.82 RAB9A (0.77) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL15580339 0.80 RAB9A (0.61) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL27652020 0.80 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL6918822 0.80 GCK (0.79) RAB9ANPC1SMN1; SMN2HPGDGRM5
SCHEMBL6918311 0.78 GRM5 (0.53) RAB9ANPC1SMN1; SMN2HPGDGRM5
SCHEMBL6918617 0.78 GCK (0.57) RAB9ANPC1SMN1; SMN2HPGDGRM5

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 RAB9A 1518/4885NPC1 2582/4885SMN1; SMN2 1565/4885

“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.