SCHEMBL4100784

SCHEMBL4100784

CN=C(SC)N(C)C(C)c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.42
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GRM5 P41594 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4100781 1.00 TP53 (0.42) TP53NPC1RAB9ATHRBMAPK1
SCHEMBL4107764 0.88 GRM5 (0.36) TP53NPC1RAB9AGRM5SMN1; SMN2
SCHEMBL4107763 0.88 GRM5 (0.36) TP53NPC1RAB9AGRM5SMN1; SMN2
SCHEMBL2901738 0.84 SMN1; SMN2 (0.41) TP53NPC1RAB9ATHRBMAPK1
SCHEMBL2901737 0.84 SMN1; SMN2 (0.41) TP53NPC1RAB9ATHRBMAPK1
SCHEMBL3366854 0.81 RAB9A (0.43) TP53NPC1RAB9AGRM5SMN1; SMN2
SCHEMBL13703811 0.81 RAB9A (0.43) TP53NPC1RAB9AGRM5SMN1; SMN2
SCHEMBL3366851 0.81 RAB9A (0.43) TP53NPC1RAB9AGRM5SMN1; SMN2
SCHEMBL3365444 0.78 TP53 (0.49) TP53NPC1RAB9ATHRBMAPK1
SCHEMBL3365446 0.78 TP53 (0.49) TP53NPC1RAB9ATHRBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 TP53 4884/4885NPC1 1878/4885RAB9A 1234/4885

“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.