SCHEMBL5193889

SCHEMBL5193889

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 2/20 0.48
DTYMK P23919 1/20 0.43
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRD5A2 P31213 1/20 0.40
ABCB1 P08183 1/20 0.40
KMO O15229 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
SCHEMBL8375405 0.88 TDP1 (0.52) DTYMKMAPTTDP1MEN1KMT2A
SCHEMBL5196091 0.86 BCL2L1 (0.46) EIF4EDTYMKMAPTTDP1MEN1
SCHEMBL17177737 0.85 DTYMK (0.49) DTYMKMAPTTDP1MEN1KMT2A
SCHEMBL5195298 0.84 EIF4E (0.46) EIF4EDTYMKMAPTTDP1MEN1
SCHEMBL5195300 0.83 ABCB1 (0.51) LMNAHTTABCB1
SCHEMBL6224258 0.83 CYP1A2 (0.49) EIF4EDTYMKMAPTTDP1MEN1
SCHEMBL5192099 0.82 ABCB1 (0.45) TDP1ABCB1
SCHEMBL5193454 0.82 CRHBP (0.59) DTYMKMAPTTDP1MEN1KMT2A
SCHEMBL5195739 0.82 DCLRE1B (0.56) EIF4ETDP1TSHRABCB1KCNMA1
SCHEMBL6313481 0.81 ALDH1A1 (0.60) MAPTTDP1MEN1KMT2APOLB

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 EIF4E 1979/4885DTYMK 420/4885MAPT 1171/4885

“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.