SCHEMBL13613326

SCHEMBL13613326

CC1([N+](=O)[O-])CN([N+](=O)[O-])C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.43
GAA P10253 1/20 0.40
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALDH1A1 P00352 1/20 0.32
KCNA4 P22459 1/20 0.31
KCNA1 Q09470 1/20 0.31
KCNAB1 Q14722 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7248680 0.74 GAA (0.33) GAACRHBPCRHR2
SCHEMBL436830 0.74 GAA (0.33) GAACRHBPCRHR2
SCHEMBL11331048 0.73 APEX1 (0.50) APEX1GAACRHBPCRHR2ALDH1A1
SCHEMBL6050582 0.73 APEX1 (0.50) APEX1GAACRHBPCRHR2ALDH1A1
SCHEMBL27570798 0.72
SCHEMBL14958921 0.70 GAA (0.32) GAA
SCHEMBL2348600 0.68 GAA (0.30) GAA
SCHEMBL9452647 0.67
SCHEMBL13592844 0.66 GAA (0.30) GAA
SCHEMBL7765575 0.65 KCNA4 (0.34) APEX1GAAALDH1A1KCNA4KCNA1

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-20090291935-A1 X-NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF RADIORX, INC. (US) 2009-11-26 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-20090291935-A1 X-NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF XDH, TXN, NOX1 APEX1 285/4885GAA 1050/4885CRHBP 4812/4885

“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.