SCHEMBL26328841

SCHEMBL26328841

Cc1nnc(-c2ccc([N+](=O)[O-])cc2)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.54
ACHE P22303 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 2/20 0.46
APP P05067 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
CES1 P23141 1/20 0.44
POLB P06746 1/20 0.43
TNFSF10 P50591 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL4634221 0.90 XDH (0.63) XDHACHEHSD17B10MAPK1APP
SCHEMBL28827853 0.81 ACHE (0.52) XDHACHEHSD17B10MAPK1APP
SCHEMBL25439856 0.80 TNFSF10 (0.57) XDHACHEHSD17B10MAPK1APP
SCHEMBL25440198 0.79 CYP1A2 (0.55) ACHEMAPTALDH1A1MGAMGAA
SCHEMBL29769219 0.77 XDH (0.58) XDHACHEHSD17B10MAPK1APP
SCHEMBL10559120 0.76 MEN1 (0.62) XDHACHEHSD17B10MAPTALDH1A1
SCHEMBL28198 0.73 CA1 (0.67) ACHEHSD17B10MAPK1APPMAPT
SCHEMBL6423919 0.73 CA1 (0.67) ACHEHSD17B10MAPK1APPMAPT
SCHEMBL3954857 0.73 XDH (0.54) XDHACHEHSD17B10MAPTALDH1A1
SCHEMBL13828967 0.73 TNFSF10 (0.50) XDHACHEHSD17B10MAPK1APP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 XDH 276/4885ACHE 1563/4885HSD17B10 616/4885

“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.