SCHEMBL14499676

SCHEMBL14499676

O=[N+]([O-])OC1C(O[N+](=O)[O-])C(O[N+](=O)[O-])C(O[N+](=O)[O-])C(O[N+](=O)[O-])C(O[N+](=O)[O-])C1O[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSR P00390 10/20 0.43
CA2 P00918 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL27736502 1.00 GSR (0.43) GSRCA2ALDH1A1MAPTMEN1
SCHEMBL14499695 1.00 GSR (0.43) GSRCA2ALDH1A1MAPTMEN1
SCHEMBL14499700 0.85 GSR (0.36) GSRCA2ALDH1A1
SCHEMBL12456826 0.85 GSR (0.36) GSRCA2ALDH1A1
SCHEMBL12456808 0.85 GSR (0.36) GSRCA2ALDH1A1
SCHEMBL14499691 0.83 GSR (0.44) GSRCA2ALDH1A1MAPT
SCHEMBL14499680 0.83 GSR (0.44) GSRCA2ALDH1A1MAPT
SCHEMBL12456825 0.81 GSR (0.37) GSRCA2ALDH1A1
SCHEMBL12456812 0.78 GSR (0.36) GSRCA2ALDH1A1
SCHEMBL12456809 0.78 GSR (0.36) GSRCA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135380-A1 O-nitro compounds, pharmaceutical compositions thereof and uses thereof RADIORX, INC. (US) 2007-06-14 US 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-20070135380-A1 O-nitro compounds, pharmaceutical compositions thereof and uses thereof NOS1, NOS2, NOS3 GSR 262/4885CA2 1885/4885ALDH1A1 874/4885

“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.