SCHEMBL19902240

SCHEMBL19902240

O=[N+]([O-])OCC(COc1nnc(-n2cc([N+](=O)[O-])cn2)nn1)(CO[N+](=O)[O-])CO[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
F2 P00734 1/20 0.30
PLAU P00749 1/20 0.30
ELANE P08246 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
SCHEMBL17482187 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL19902275 0.80 ALDH1A1 (0.41) ALDH1A1
SCHEMBL19902246 0.79 ALDH1A1 (0.40) ALDH1A1
SCHEMBL19902274 0.78 ALDH1A1 (0.64) ALDH1A1
SCHEMBL17476713 0.78 MAPT (0.46) ALDH1A1MAPTMEN1RECQLKMT2A
SCHEMBL19902457 0.78 MAPT (0.33) ALDH1A1MAPTMEN1RECQLKMT2A
SCHEMBL17482188 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL17484761 0.71 MAPT (0.41) ALDH1A1MAPTMEN1RECQLKMT2A
SCHEMBL19902438 0.71 ALDH1A1 (0.53) ALDH1A1
SCHEMBL17484750 0.71 F2 (0.41) ALDH1A1MAPTMEN1RECQLKMT2A

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 2 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

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-10174064-B2 Photoactive energetic materials NOX5, TRPM5, MT-ND5 ALDH1A1 706/4885MAPT 1579/4885MEN1 510/4885

“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.