SCHEMBL17484752

SCHEMBL17484752

CCN1CC([N+](=O)[O-])([N+](=O)[O-])C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.34
APEX1 P27695 1/20 0.34
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NLRP3 Q96P20 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL6366107 0.76 APEX1 (0.36) ALDH1A1GAAAPEX1MAPTNLRP3
SCHEMBL9921596 0.72 GAA (0.38) ALDH1A1GAAAPEX1CRHBPCRHR2
SCHEMBL9345878 0.71 LMNA (0.39) GAA
SCHEMBL17484747 0.70 ALDH1A1 (0.32) ALDH1A1GAAPKM
SCHEMBL6365346 0.70 ALDH1A1 (0.52) ALDH1A1GAAAPEX1MAPTNLRP3
SCHEMBL3737916 0.69 TP53 (0.38) NLRP3
SCHEMBL11224624 0.68 APEX1 (0.40) GAAAPEX1CRHBPCRHR2
SCHEMBL7248680 0.67 GAA (0.33) GAACRHBPCRHR2NLRP3
SCHEMBL436830 0.67 GAA (0.33) GAACRHBPCRHR2NLRP3
SCHEMBL1994684 0.67 CRHBP (0.63) ALDH1A1GAACRHBPCRHR2

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-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS TRIAD NATIONAL SECURITY, LLC 2016-02-04 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-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 ALDH1A1 706/4885GAA 1583/4885APEX1 272/4885

“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.