SCHEMBL975589

SCHEMBL975589

N#CC(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 5/20 0.57
NPC1 O15118 1/20 0.55
HTT P42858 1/20 0.55
GAA P10253 1/20 0.54
PARP1 P09874 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PTGER1 P34995 1/20 0.49
FOLH1 Q04609 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL2290167 0.84 SGMS2 (0.57) SGMS2NPC1HTTGAAPARP1
SCHEMBL112903 0.81 SGMS2 (0.66) SGMS2NPC1HTTGAAPARP1
SCHEMBL29433417 0.81 SGMS2 (0.66) SGMS2NPC1HTTGAAPARP1
SCHEMBL9696207 0.81 SGMS2 (0.66) SGMS2NPC1HTTGAAPARP1
SCHEMBL8786705 0.80 SGMS2 (0.64) SGMS2NPC1HTTGAAPARP1
Bicarbonate SCHEMBL29914194 0.80 SGMS2 (0.64) SGMS2NPC1HTTGAAPARP1
Hydrochloric Acid SCHEMBL8998291 0.80 SGMS2 (0.64) SGMS2NPC1HTTGAAPARP1
Bicarbonate SCHEMBL21753662 0.80 SGMS2 (0.64) SGMS2NPC1HTTGAAPARP1
SCHEMBL17799483 0.80 SGMS2 (0.64) SGMS2NPC1HTTGAAPARP1
Bicarbonate SCHEMBL236872 0.80 SGMS2 (0.64) SGMS2NPC1HTTGAAPARP1

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-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-103705519-A Cyclic triazo and diazo sodium channel blockers UNIV GREENWICH 2014-04-09 CN disclosed
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 US disclosed
EP-2229371-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2010-09-22 EP disclosed
WO-2009090431-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2009-07-23 WO 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 SGMS2 2055/4885NPC1 447/4885HTT 1946/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A SGMS2 3611/4885NPC1 1211/4885HTT 351/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A SGMS2 2033/4885NPC1 529/4885HTT 1725/4885

“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.