SCHEMBL2769859

SCHEMBL2769859

CO/C=C/c1ccc([N+](=O)[O-])c(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
PTGS2 P35354 1/20 0.46
BACE1 P56817 4/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
VCAM1 P19320 1/20 0.40
MAPT P10636 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40

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
SCHEMBL2769860 1.00 SIRT6 (0.50) SIRT6TDP1PTGS2BACE1PDGFRB
SCHEMBL13634215 0.87 SIRT6 (0.51) SIRT6TDP1PTGS2BACE1PDGFRB
SCHEMBL2772097 0.84 SIRT6 (0.53) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL648496 0.83 SIRT6 (0.55) SIRT6TDP1PTGS2BACE1PDGFRB
SCHEMBL27344177 0.81 MEN1 (0.51) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL27358645 0.81 MEN1 (0.51) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL11389602 0.78 TDP1 (0.59) SIRT6TDP1PTGS2BACE1MAPT
SCHEMBL4753199 0.76 VCAM1 (0.60) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL145815 0.76 SIRT6 (0.57) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL268199 0.76 CA12 (0.59) SIRT6TDP1BACE1PDGFRBFGFR1

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
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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US 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
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 SIRT6 1744/4885TDP1 2603/4885PTGS2 1287/4885

“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.