SCHEMBL17482200

SCHEMBL17482200

Nc1nnc2nnc(-n3cc([N+](=O)[O-])cn3)nn12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APEX1 P27695 1/20 0.35
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
F2 P00734 2/20 0.33
PLAU P00749 2/20 0.33
ELANE P08246 2/20 0.33
HSP90AA1 P07900 1/20 0.30
LMNA P02545 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
SCHEMBL17476713 0.80 MAPT (0.46) MAPTALDH1A1RXFP1MEN1RECQL
SCHEMBL17484761 0.79 MAPT (0.41) MAPTALDH1A1RXFP1MEN1RECQL
SCHEMBL17482204 0.78 MAPT (0.36) MAPTALDH1A1RXFP1MEN1RECQL
SCHEMBL17482195 0.77 MET (0.40) MAPTALDH1A1RXFP1MEN1RECQL
SCHEMBL17484750 0.73 F2 (0.41) MAPTALDH1A1RXFP1MEN1RECQL
SCHEMBL17476712 0.72 MAPT (0.39) MAPTALDH1A1RXFP1MEN1RECQL
SCHEMBL29906335 0.69 APEX1 (0.39) MAPTAPEX1LMNA
SCHEMBL17484780 0.67 GAA (0.39) MAPTALDH1A1RXFP1MEN1RECQL
SCHEMBL17482191 0.65 MAPT (0.35) MAPTALDH1A1RXFP1MEN1RECQL
SCHEMBL16975382 0.63 MGAM (0.43) MAPTALDH1A1RXFP1MEN1RECQL

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 MAPT 1579/4885ALDH1A1 706/4885RXFP1 3678/4885
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 MAPT 1579/4885ALDH1A1 706/4885RXFP1 3678/4885

“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.