SCHEMBL25439856

SCHEMBL25439856

CSc1nnc(-c2ccc([N+](=O)[O-])cc2)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFSF10 P50591 1/20 0.57
MAPT P10636 5/20 0.53
ALDH1A1 P00352 3/20 0.53
XDH P47989 1/20 0.50
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
APP P05067 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.40
CES1 P23141 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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 0.85 XDH (0.63) MAPTALDH1A1XDHACHEHSD17B10
SCHEMBL26328841 0.80 XDH (0.54) TNFSF10MAPTALDH1A1XDHACHE
SCHEMBL15309769 0.78 TNFSF10 (0.49) TNFSF10MAPTALDH1A1GAALMNA
SCHEMBL10846356 0.76 TNFSF10 (0.48) TNFSF10MAPTALDH1A1ACHEHSD17B10
SCHEMBL11337650 0.73 ALDH1A1 (0.61) TNFSF10MAPTALDH1A1GAALMNA
SCHEMBL29769219 0.73 XDH (0.58) TNFSF10MAPTALDH1A1XDHACHE
SCHEMBL1767817 0.72 ALDH1A1 (0.46) TNFSF10MAPTALDH1A1MAPK1LMNA
SCHEMBL25440108 0.72 LMNA (0.43) TNFSF10MAPTALDH1A1HSD17B10MAPK1
SCHEMBL23405207 0.71 RAB9A (0.64) MAPTALDH1A1MAPK1TSHRLMNA
SCHEMBL8999506 0.71 TNFSF10 (0.49) TNFSF10MAPTALDH1A1XDHAPP

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 3 patents. 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
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS UNIVERSITY OF DELAWARE (US) 2022-04-07 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 TNFSF10 4829/4885MAPT 1269/4885ALDH1A1 874/4885
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS TST, CYP4F8, CYP4Z1 TNFSF10 4829/4885MAPT 1269/4885ALDH1A1 874/4885

“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.