SCHEMBL2904065

SCHEMBL2904065

CNC(=S)N(C1CC1)C(C)c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.39
TP53 P04637 4/20 0.39
MAPT P10636 4/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL12704833 0.84 USP30 (0.43) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL2896504 0.84 TP53 (0.43) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL1544567 0.82 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2901737 0.80 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2901738 0.80 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2896507 0.78 RAB9A (0.44) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL27681439 0.73 IDH1 (0.35) MAPT
SCHEMBL1545441 0.73 TP53 (0.51) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL13871020 0.72 MAPK1 (0.48) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2896497 0.72 MAPK1 (0.48) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212316-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 AstraZeneca AB (SE) 2010-08-04 EP claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
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 NPC1 1878/4885RAB9A 1234/4885SMN1; SMN2 1719/4885

“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.