SCHEMBL5192099

SCHEMBL5192099

COC(=O)c1ccc(-c2ccc(F)c(F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.45
ERN1 O75460 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
ABCC1 P33527 5/20 0.42
SIRT6 Q8N6T7 1/20 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
CHEK1 O14757 1/20 0.41
VCAM1 P19320 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA5 P08648 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
SCHEMBL5193684 0.88 ABCB1 (0.50) ABCB1ERN1TDP1ABCC1CHEK1
SCHEMBL5195057 0.87 SLC6A4 (0.49) ABCB1ERN1ABCC1SIRT6PDGFRB
SCHEMBL5192536 0.86 ABCB1 (0.54) ABCB1ERN1TDP1ABCC1SIRT6
SCHEMBL5191949 0.84 ABCB1 (0.48) ABCB1ERN1ABCC1SIRT6
SCHEMBL30768372 0.84 TDP1 (0.51) TDP1SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL24749512 0.84 TDP1 (0.51) TDP1SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL2271534 0.83 ABCB1 (0.61) ABCB1ERN1ABCC1
SCHEMBL5193889 0.82 EIF4E (0.48) ABCB1TDP1
SCHEMBL5192816 0.82 KDM4E (0.52) ABCB1ERN1TDP1CHEK1
SCHEMBL28845796 0.82 ALDH1A1 (0.45) ABCB1ERN1TDP1ABCC1SIRT6

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
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 ABCB1 1072/4885ERN1 506/4885TDP1 1010/4885

“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.