SCHEMBL17484748

SCHEMBL17484748

O=[N+]([O-])C1([N+](=O)[O-])CN(c2nnc(-n3cncn3)nn2)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL17482185 0.77 LMNA (0.37) KDM4EALDH1A1
SCHEMBL19902423 0.76 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2
SCHEMBL17482186 0.74 KDM4E (0.34) KDM4E
SCHEMBL17484785 0.71
SCHEMBL17482161 0.67
SCHEMBL17482183 0.66 MAPT (0.49) SMN1; SMN2
SCHEMBL17482173 0.65 APEX1 (0.31)
SCHEMBL17484749 0.64 LMNA (0.38) FBP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1163907 0.64 FBP1 (0.41) FBP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL17482178 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174064-B2 Photoactive energetic materials TRIAD NATIONAL SECURITY, LLC (US) 2019-01-08 US disclosed
US-9902748-B2 Photoactive energetic materials LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-02-27 US disclosed
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 (2 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-10174064-B2 Photoactive energetic materials NOX5, TRPM5, MT-ND5 FBP1 3538/4885KDM4E 3658/4885ALDH1A1 706/4885
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 FBP1 3538/4885KDM4E 3658/4885ALDH1A1 706/4885

“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.