SCHEMBL1547525

SCHEMBL1547525

N#Cc1c(-c2cccc(C(F)(F)F)c2)no[n+]1[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.71
ABCC1 P33527 3/20 0.63
GMNN O75496 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
MAPT P10636 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
THPO P40225 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
CTSS P25774 4/20 0.46
CTSK P43235 5/20 0.39
KDM5A P29375 1/20 0.39

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
SCHEMBL1548119 0.86 GSR (0.74) GSRABCC1GMNNALDH1A1LMNA
SCHEMBL1547730 0.86 GSR (0.81) GSRABCC1GMNNALDH1A1LMNA
SCHEMBL1547728 0.83 GSR (1.00) GSRABCC1GMNNALDH1A1LMNA
SCHEMBL1547812 0.80 GSR (0.71) GSRABCC1GMNNALDH1A1LMNA
SCHEMBL1547733 0.80 GSR (1.00) GSRABCC1GMNNALDH1A1LMNA
Furoxan SCHEMBL320190 0.78 ABCC1 (1.00) GSRABCC1GMNNALDH1A1LMNA
SCHEMBL1547974 0.76 ABCC1 (0.83) GSRABCC1GMNNALDH1A1LMNA
SCHEMBL1547781 0.75 GSR (0.64) GSRABCC1GMNNALDH1A1LMNA
SCHEMBL1548166 0.74 ABCC1 (0.68) GSRABCC1GMNNALDH1A1LMNA
SCHEMBL1547501 0.73 ABCC1 (0.62) GSRABCC1GMNNALDH1A1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207784-A1 OXADIAZOLE-2-OXIDES AS ANTISCHISTOSOMAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2011-08-25 US claimed
EP-2310378-A2 OXADIAZOLE-2-OXIDES AS ANTISCHISTOSOMAL AGENTS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2011-04-20 EP claimed
WO-2010019772-A2 OXADIAZOLE-2-OXIDES AS ANTISCHISTOSOMAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-02-18 WO claimed
US-20110207784-A1 OXADIAZOLE-2-OXIDES AS ANTISCHISTOSOMAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2011-08-25 US disclosed
EP-2310378-A2 OXADIAZOLE-2-OXIDES AS ANTISCHISTOSOMAL AGENTS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2011-04-20 EP disclosed
WO-2010019772-A2 OXADIAZOLE-2-OXIDES AS ANTISCHISTOSOMAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-02-18 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-20110207784-A1 OXADIAZOLE-2-OXIDES AS ANTISCHISTOSOMAL AGENTS ARG2, OXA1L, SQOR GSR 128/4885ABCC1 201/4885GMNN 2771/4885

“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.