SCHEMBL6918568

SCHEMBL6918568

CN(c1cncnc1)c1cccc(C(=O)Nc2nccs2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
GRM5 P41594 7/20 0.57
KCNK3 O14649 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
RECQL P46063 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.51
GLA P06280 1/20 0.51
SCD O00767 1/20 0.50

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
SCHEMBL6918262 0.91 GRM5 (0.59) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6919031 0.83 GRM5 (0.69) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6918581 0.83 GRM5 (0.59) SMN1; SMN2KDM4EALDH1A1TDP1GRM5
SCHEMBL1982589 0.81 GRM5 (0.72) MEN1KMT2ASMN1; SMN2KDM4EGRM5
SCHEMBL6919092 0.79 GRM5 (0.55) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6918266 0.79 GRM5 (0.55) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6329789 0.78 SMN1; SMN2 (0.59) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6918739 0.77 RAB9A (0.66) MEN1KMT2ASMN1; SMN2GRM5KCNK3
SCHEMBL6927218 0.77 GRM5 (0.59) SMN1; SMN2KDM4EALDH1A1TDP1GRM5
SCHEMBL8555330 0.76 TP53 (0.70) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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 MEN1 4656/4885KMT2A 859/4885SMN1; 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.