SCHEMBL978581

SCHEMBL978581

Nc1nnc(C2(c3ccc(Cl)cc3)CCCCC2)c(N)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.50
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD11B1 P28845 8/20 0.43
HSD11B2 P80365 3/20 0.43
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
NR1I2 O75469 1/20 0.40
MAP4K4 O95819 2/20 0.40
PDE5A O76074 1/20 0.40
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PIK3CG P48736 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
SCHEMBL1023748 0.98 BACE1 (0.51) BACE1ALDH1A1L3MBTL1HSD11B1HSD11B2
SCHEMBL1025471 0.95 BACE1 (0.48) BACE1HSD11B1HSD11B2NR1I2MAP4K4
SCHEMBL976986 0.94 BACE1 (0.46) BACE1ALDH1A1L3MBTL1HSD11B1HSD11B2
SCHEMBL9607820 0.85 ALDH1A1 (0.43) BACE1ALDH1A1L3MBTL1HSD11B1HSD11B2
SCHEMBL9607808 0.84 CSNK1A1 (0.42) ALDH1A1L3MBTL1HSD11B1HSD11B2
SCHEMBL9607812 0.83 HSD11B1 (0.41) BACE1ALDH1A1L3MBTL1HSD11B1HSD11B2
SCHEMBL9607809 0.83 CSNK1A1 (0.43) ALDH1A1L3MBTL1HSD11B1HSD11B2
SCHEMBL9607811 0.81 BACE1 (0.54) BACE1ALDH1A1L3MBTL1SLC6A4SLC6A3
SCHEMBL9607813 0.79 BACE1 (0.54) BACE1ALDH1A1L3MBTL1SLC6A4SLC6A3
SCHEMBL9607818 0.78 CSNK1A1 (0.44) HSD11B1HSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229371-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-12-23 EP claimed
EP-3002280-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2023-05-24 EP disclosed
US-9862691-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2018-01-09 US disclosed
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2016-10-27 US disclosed
US-9422253-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2016-08-23 US disclosed
EP-3002280-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2016-04-06 EP disclosed
EP-2229371-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-12-23 EP disclosed
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-06-05 US disclosed
CN-101918378-B Cyclic azide and sodium diazoxide channel blockers UNIV GREENWICH 2013-12-04 CN disclosed
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 US disclosed
CN-101918378-A Cyclic azide and sodium diazoxide channel blockers UNIV GREENWICH 2010-12-15 CN 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 (3 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-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A BACE1 2641/4885ALDH1A1 1806/4885L3MBTL1 3661/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A BACE1 203/4885ALDH1A1 3145/4885L3MBTL1 1300/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A BACE1 3078/4885ALDH1A1 1729/4885L3MBTL1 4016/4885

“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.