SCHEMBL13161925

SCHEMBL13161925

COC1CN(c2nc(C3OC(C)O3)cs2)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OGA O60502 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL13161907 0.90 RAB9A (0.37) ALDH1A1GAAMAPK1NPC1RAB9A
SCHEMBL13162281 0.86 MAPT (0.37) ALDH1A1GAAMAPK1NPC1RAB9A
SCHEMBL13270611 0.80 AR (0.44) ALDH1A1MAPK1NPC1RAB9AMAPT
SCHEMBL13162279 0.78 AR (0.47) ALDH1A1MAPK1NPC1RAB9AMAPT
SCHEMBL13638865 0.77 LMNA (0.52) ALDH1A1GAAMAPK1NPC1RAB9A
SCHEMBL13161927 0.77 NPC1 (0.36) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13161918 0.76 AR (0.31) NPC1RAB9AAR
SCHEMBL13162283 0.76 LMNA (0.37) ALDH1A1GAAMAPK1NPC1RAB9A
SCHEMBL13162294 0.75 ADK (0.35) ALDH1A1GAAMAPK1RAB9AMAPT
SCHEMBL13162783 0.73

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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 ALDH1A1 1659/4885GAA 4334/4885MAPK1 307/4885

“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.