SCHEMBL13764342

SCHEMBL13764342

COc1cc(F)ccc1-c1ccc(-c2csc(C)n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.52
CYP1B1 Q16678 2/20 0.52
MAPT P10636 1/20 0.51
GAA P10253 1/20 0.51
RECQL P46063 1/20 0.51
GFER P55789 1/20 0.51
AR P10275 2/20 0.47
NPC1 O15118 4/20 0.46
MEN1 O00255 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM5 P41594 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
SCHEMBL11982737 0.90 MAPT (0.54) CYP1A1CYP1B1MAPTGAARECQL
SCHEMBL11982626 0.86 MAPT (0.51) MAPTGAARECQLGFER
SCHEMBL11982658 0.85 KDM1A (0.50) CYP1A1CYP1B1MAPTGAARECQL
SCHEMBL13764343 0.85 GRM5 (0.47) MAPTGAARECQLARNPC1
SCHEMBL11982729 0.85 GRM5 (0.47) MAPTGAARECQLARNPC1
SCHEMBL13764341 0.82 GRM5 (0.47) MAPTGAARECQLARNPC1
SCHEMBL11982617 0.81 MAPT (0.55) MAPTGAARECQLGFERNPC1
SCHEMBL13764344 0.81 MAPT (0.43) MAPTGAARECQLGFERAR
SCHEMBL8241108 0.81 GRM5 (0.65) GRM5
SCHEMBL8239076 0.80 GRM5 (0.63) MAPTGAARECQLARNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use MERCK SHARP & DOHME LLC 2009-08-13 US 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-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use GRM5, GRIK5, GRM3 CYP1A1 3513/4885CYP1B1 3849/4885MAPT 1999/4885

“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.