SCHEMBL1547530

SCHEMBL1547530

N#Cc1c(-c2ccc(-c3ccccc3)cc2)no[n+]1[O-]

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 8/20 0.94
ALDH1A1 P00352 2/20 0.94
MAPT P10636 2/20 0.94
GMNN O75496 1/20 0.94
LMNA P02545 1/20 0.94
TP53 P04637 1/20 0.94
CYP1A2 P05177 1/20 0.94
CYP3A4 P08684 1/20 0.94
CYP2D6 P10635 1/20 0.94
TSHR P16473 1/20 0.94
NFKB1 P19838 1/20 0.94
THPO P40225 1/20 0.94
BLM P54132 1/20 0.94
PMP22 Q01453 1/20 0.94
SMN1; SMN2 Q16637 1/20 0.94
NPSR1 Q6W5P4 1/20 0.94
GSR P00390 3/20 0.67
ABCB1 P08183 5/20 0.51
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48

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
Furoxan SCHEMBL320190 0.97 ABCC1 (1.00) ABCC1ALDH1A1MAPTGMNNLMNA
SCHEMBL1547974 0.92 ABCC1 (0.83) ABCC1ALDH1A1MAPTGMNNLMNA
SCHEMBL1547730 0.85 GSR (0.81) ABCC1ALDH1A1MAPTGMNNLMNA
SCHEMBL1548118 0.84 ABCC1 (0.71) ABCC1ALDH1A1MAPTGMNNLMNA
SCHEMBL1547817 0.84 ABCC1 (0.71) ABCC1ALDH1A1MAPTGMNNLMNA
SCHEMBL1547962 0.84 ABCC1 (0.71) ABCC1ALDH1A1MAPTGMNNLMNA
SCHEMBL1547742 0.84 ABCC1 (0.71) ABCC1ALDH1A1MAPTGMNNLMNA
SCHEMBL1547686 0.84 ABCC1 (0.71) ABCC1ALDH1A1MAPTGMNNLMNA
SCHEMBL1548166 0.82 ABCC1 (0.68) ABCC1ALDH1A1MAPTGMNNLMNA
SCHEMBL1548148 0.80 ALDH1A1 (0.66) ABCC1ALDH1A1MAPTGMNNLMNA

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 ABCC1 201/4885ALDH1A1 251/4885MAPT 4497/4885

“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.