SCHEMBL6919092

SCHEMBL6919092

CN(c1cccnc1)c1cc(F)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.55
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GLA P06280 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
AGER Q15109 1/20 0.46
LMNA P02545 1/20 0.45
GBA1 P04062 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPK10 P53779 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6919031 0.89 GRM5 (0.69) GRM5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6918266 0.88 GRM5 (0.55) GRM5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6918262 0.87 GRM5 (0.59) GRM5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6918338 0.84 GRM5 (0.78) GRM5MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6919206 0.81 GRM5 (0.59) GRM5SMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL6927218 0.80 GRM5 (0.59) GRM5SMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL6918568 0.79 MEN1 (0.59) GRM5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6918617 0.77 GCK (0.57) GRM5SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8797043 0.77 RAB9A (0.62) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6919090 0.77 GRM5 (0.44) GRM5ALDH1A1KDM4ERAB9ALMNA

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 1/4885MEN1 4656/4885KMT2A 859/4885

“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.