SCHEMBL17482191

SCHEMBL17482191

CCC(CC)(CC)Nc1nnc(-n2cc([N+](=O)[O-])cn2)nn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 4/20 0.33
POLB P06746 3/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
F2 P00734 2/20 0.32
PLAU P00749 2/20 0.32
ELANE P08246 2/20 0.32
HTT P42858 1/20 0.31
MAPK1 P28482 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
SCHEMBL19902457 0.84 MAPT (0.33) MAPTMEN1KMT2ARECQLTDP1
SCHEMBL17476713 0.81 MAPT (0.46) MAPTMEN1KMT2ARECQLTDP1
SCHEMBL17476712 0.79 MAPT (0.39) MAPTMEN1KMT2ARECQLTDP1
SCHEMBL17484750 0.74 F2 (0.41) MAPTMEN1KMT2ARECQLTDP1
SCHEMBL17484761 0.74 MAPT (0.41) MAPTMEN1KMT2ARECQLTDP1
SCHEMBL17484780 0.68 GAA (0.39) MAPTMEN1KMT2ARECQLTDP1
SCHEMBL19902240 0.66 ALDH1A1 (0.39) MAPTMEN1KMT2ARECQLTDP1
SCHEMBL19902559 0.65
SCHEMBL17482200 0.65 MAPT (0.38) MAPTMEN1KMT2ARECQLTDP1
SCHEMBL17482195 0.64 MET (0.40) MAPTMEN1KMT2ARECQLTDP1

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-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 (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 MAPT 1579/4885MEN1 510/4885KMT2A 2826/4885

“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.