SCHEMBL17482185

SCHEMBL17482185

O=[N+]([O-])C1([N+](=O)[O-])CN(c2nnc(-n3cccn3)nn2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 4/20 0.33
ADORA2A P29274 5/20 0.33
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
KDM4E B2RXH2 3/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
G6PD P11413 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA10 Q9GZZ6 1/20 0.30
CHRNA9 Q9UGM1 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
SCHEMBL17484748 0.77 FBP1 (0.37) ALDH1A1KDM4E
SCHEMBL20626747 0.76 LMNA (0.41) LMNAHTTALDH1A1ADORA2AADORA3
SCHEMBL17482186 0.74 KDM4E (0.34) KDM4EMAPK1MAPT
SCHEMBL17476686 0.73 KDM4E (0.48) LMNAHTTALDH1A1ADORA2AADORA3
SCHEMBL17484785 0.71
SCHEMBL17482161 0.67
SCHEMBL17482183 0.66 MAPT (0.49) LMNAHTTADORA2AMAPK1GAA
SCHEMBL17482173 0.65 APEX1 (0.31)
SCHEMBL17482179 0.64 ADORA2A (0.49) LMNAHTTALDH1A1ADORA2AADORA3
SCHEMBL17482181 0.64 KDM4E (0.50) LMNAHTTALDH1A1ADORA2AADORA3

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 5 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-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
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 LMNA 707/4885HTT 1534/4885ALDH1A1 706/4885
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 LMNA 707/4885HTT 1534/4885ALDH1A1 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.