SCHEMBL3550195

SCHEMBL3550195

CCOC(=O)c1csc(N2CCOC[C@@H]2C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.47
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.45
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP8 Q14790 1/20 0.43
OGA O60502 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.41
HSP90AA1 P07900 2/20 0.41
CLK1 P49759 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL28003490 0.88 GAA (0.44) IRAK4NPC1RAB9AMAPTALDH1A1
SCHEMBL20594858 0.87 IRAK4 (0.51) IRAK4PIK3CA
SCHEMBL3435713 0.87 GAA (0.43) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL14000054 0.85 GAA (0.42) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL14000051 0.85 GAA (0.42) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL10278349 0.83 IRAK4 (0.51) IRAK4ALDH1A1GAAOGASMN1; SMN2
SCHEMBL20594891 0.83 IRAK4 (0.51) IRAK4ALDH1A1GAAOGASMN1; SMN2
SCHEMBL15888536 0.82 SMN1; SMN2 (0.50) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL21875377 0.81 SMN1; SMN2 (0.52) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL7173774 0.81 OGA (0.55) NPC1RAB9AMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 IRAK4 199/4885NPC1 4245/4885RAB9A 4401/4885

“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.