SCHEMBL2901737

SCHEMBL2901737

C/N=C(\SC)N(C1CC1)C(C)c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 3/20 0.37
THRB P10828 1/20 0.37
USP30 Q70CQ3 1/20 0.37
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM5 P41594 2/20 0.35

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
SCHEMBL2901738 1.00 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL4100784 0.84 TP53 (0.42) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL4100781 0.84 TP53 (0.42) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL2904065 0.80 NPC1 (0.43) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL2916174 0.79 TP53 (0.41) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL8041934 0.79 TP53 (0.41) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL2916178 0.79 TP53 (0.41) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL1545116 0.74 RAB9A (0.44) NPC1RAB9ATP53MAPTGRM5
SCHEMBL8273345 0.74 RAB9A (0.44) NPC1RAB9ATP53MAPTGRM5
SCHEMBL1545114 0.74 RAB9A (0.44) NPC1RAB9ATP53MAPTGRM5

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 SMN1; SMN2 1719/4885NPC1 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.