SCHEMBL978425

SCHEMBL978425

N#CC(=O)c1cccc(OCc2c(Cl)cccc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
MRGPRX4 Q96LA9 3/20 0.46
NR1H4 Q96RI1 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
SMPD1 P17405 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 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
SCHEMBL30414012 1.00 NR4A2 (0.53) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL30412953 0.84 NR4A2 (0.57) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL978508 0.84 NR4A2 (0.74) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL30412532 0.84 NR4A2 (0.74) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL978359 0.84 NR4A2 (0.57) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL1437471 0.82 MAOB (0.68) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL4639188 0.82 NR4A2 (0.56) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL30413678 0.82 MRGPRX4 (0.59) NR4A2MAOBMAOAMRGPRX4SMPD1
SCHEMBL980871 0.82 MRGPRX4 (0.59) NR4A2MAOBMAOAMRGPRX4SMPD1
SCHEMBL30411777 0.80 NR1H4 (0.64) NR4A2NPC1RAB9ANR4A1NR4A3

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 NR4A2 833/4885NPC1 447/4885RAB9A 2647/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A NR4A2 899/4885NPC1 1211/4885RAB9A 359/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A NR4A2 842/4885NPC1 529/4885RAB9A 2732/4885

“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.