SCHEMBL2772097

SCHEMBL2772097

COC(=O)c1cc(C=O)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.53
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
VCAM1 P19320 2/20 0.47
ALDH1A1 P00352 6/20 0.47
ERN1 O75460 2/20 0.46
ALDH3A1 P30838 2/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
MAPT P10636 5/20 0.43
HPGD P15428 3/20 0.43
TTR P02766 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL14722272 0.88 ALDH5A1 (0.55) SIRT6ALDH5A1ABATVCAM1ALDH1A1
SCHEMBL648496 0.87 SIRT6 (0.55) SIRT6TDP1VCAM1ALDH1A1ERN1
SCHEMBL13634215 0.85 SIRT6 (0.51) SIRT6TDP1VCAM1PDGFRBFGFR1
SCHEMBL2769859 0.84 SIRT6 (0.50) SIRT6TDP1VCAM1ALDH1A1ERN1
SCHEMBL27358645 0.84 MEN1 (0.51) SIRT6TDP1ALDH1A1PDGFRBFGFR1
SCHEMBL2769860 0.84 SIRT6 (0.50) SIRT6TDP1VCAM1ALDH1A1ERN1
SCHEMBL27344177 0.84 MEN1 (0.51) SIRT6TDP1ALDH1A1PDGFRBFGFR1
SCHEMBL19785891 0.82 XDH (0.47) SIRT6ALDH5A1ABATTDP1VCAM1
SCHEMBL2609111 0.80 ALDH5A1 (0.41) SIRT6ALDH5A1ABATTDP1VCAM1
SCHEMBL4753199 0.80 VCAM1 (0.60) SIRT6TDP1VCAM1ALDH1A1ERN1

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 9 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-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-0406958-B1 Positive inotropic and lusitropic 3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-03-15 EP disclosed
US-5220023-A Intermediates for inotropic agents JANSSEN PHARMACEUTICA N.V. (BE) 1993-06-15 US disclosed
US-5120845-A Treating congestive heart failure JANSSEN PHARMACEUTICA N.V. (BE) 1992-06-09 US disclosed
US-5043327-A Treating mammals with congestive heart failure JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-27 US disclosed
EP-0406958-A2 Positive inotropic and lusitropic 3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-09 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 1744/4885ALDH5A1 1741/4885ABAT 1066/4885

“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.