SCHEMBL17482183

SCHEMBL17482183

Cc1cc(C)n(-c2nnc(N3CC([N+](=O)[O-])([N+](=O)[O-])C3)nn2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
HTT P42858 6/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
MAPK1 P28482 3/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
HTR6 P50406 2/20 0.42
EED O75530 2/20 0.40
LMNA P02545 2/20 0.38
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.37
ADORA2A P29274 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL20626725 0.78 MAPT (0.55) MAPTHTTRAB9AL3MBTL1MAPK1
SCHEMBL17468789 0.69 RAB9A (0.61) MAPTHTTRAB9AL3MBTL1MAPK1
SCHEMBL17482186 0.69 KDM4E (0.34) MAPTL3MBTL1MAPK1
SCHEMBL17484785 0.69
SCHEMBL17482161 0.68
SCHEMBL17482185 0.66 LMNA (0.37) MAPTHTTMAPK1LMNAGAA
SCHEMBL17484748 0.66 FBP1 (0.37) SMN1; SMN2
SCHEMBL17482173 0.66 APEX1 (0.31)
SCHEMBL7694906 0.65 SMN1; SMN2 (0.70) MAPTHTTRAB9AL3MBTL1MAPK1
SCHEMBL28545428 0.65 SMN1; SMN2 (0.45) MAPTHTTRAB9AL3MBTL1MAPK1

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 1579/4885HTT 1534/4885RAB9A 4208/4885
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 MAPT 1579/4885HTT 1534/4885RAB9A 4208/4885

“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.