SCHEMBL3558466

SCHEMBL3558466

COCc1nc(C(=O)O)co1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.45
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
P2RY2 P41231 1/20 0.36
CES1 P23141 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
BACE1 P56817 1/20 0.34
DAO P14920 1/20 0.34

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
SCHEMBL3436248 0.84 SLC6A2 (0.46) ALOX5APFEN1SLC6A2SLC6A4SLC6A3
SCHEMBL27411713 0.84 ALDH1A1 (0.42) HCAR2ALOX5APFEN1SLC6A2SLC6A4
SCHEMBL13270562 0.83 ALOX5AP (0.36) HCAR2ALOX5APFEN1SLC6A2SLC6A4
SCHEMBL742154 0.83 ALDH1A1 (0.41) HCAR2ALOX5APFEN1SLC6A2SLC6A4
SCHEMBL25039089 0.81 ALOX5AP (0.35) HCAR2ALOX5APFEN1SLC6A2SLC6A4
SCHEMBL13270401 0.81 BACE1 (0.35) HCAR2ALOX5APFEN1SLC6A2SLC6A4
SCHEMBL3436268 0.81 SLC6A2 (0.39) HCAR2ALOX5APFEN1SLC6A2SLC6A4
SCHEMBL1760523 0.79 HCAR2 (0.39) HCAR2HRH3P2RY2CES1ALOX15
SCHEMBL15301432 0.79 P2RY2 (0.35) HCAR2ALOX5APFEN1SLC6A2SLC6A4
SCHEMBL742811 0.77 CES1 (0.39) HCAR2ALOX5APFEN1LMNAHRH3

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 7 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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 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 (2 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 HCAR2 196/4885ALOX5AP 2695/4885FEN1 4842/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HCAR2 107/4885ALOX5AP 2080/4885FEN1 4644/4885

“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.