SCHEMBL13162549

SCHEMBL13162549

COC(=O)c1cc(OCCCSC)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
HSD17B10 Q99714 3/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CFTR P13569 1/20 0.43
MAOB P27338 5/20 0.40
MAOA P21397 3/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
ABL1 P00519 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4257305 0.86 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL13162389 0.85 MAPT (0.43) MAPTGAAHPGDMAOBMAOA
SCHEMBL13163934 0.85 ALDH1A1 (0.55) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL1012515 0.85 KDM4E (0.55) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL7452382 0.83 KDM4E (0.56) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL267612 0.83 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL30710211 0.82 MAPT (0.52) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL13163939 0.81 ALDH1A1 (0.51) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL23757486 0.80 ALDH1A1 (0.50) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL13740239 0.80 ALDH1A1 (0.59) KDM4EALDH1A1MAPTHSD17B10GAA

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 3 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-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 KDM4E 1395/4885ALDH1A1 1659/4885MAPT 1765/4885

“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.