SCHEMBL978700

SCHEMBL978700

N#CC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.68
NR4A1 P22736 1/20 0.68
NR4A3 Q92570 1/20 0.68
MAOB P27338 2/20 0.64
PARP10 Q53GL7 1/20 0.64
SRD5A2 P31213 1/20 0.62
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
GUSB P08236 1/20 0.59
PLA2G4B P0C869 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
PKM P14618 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56

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
SCHEMBL30413542 0.84 NR4A2 (0.72) NR4A2MAOBSRD5A2GUSBMEN1
SCHEMBL978691 0.84 NR4A2 (0.72) NR4A2MAOBSRD5A2GUSBMEN1
SCHEMBL4600574 0.81 NR4A1 (0.64) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL4059143 0.81 NR4A2 (1.00) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL6830467 0.81 NR4A2 (1.00) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL228477 0.81 NR4A2 (1.00) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL3232949 0.81 SRD5A2 (0.90) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL2476562 0.80 NR4A2 (0.62) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL402300 0.80 SRD5A2 (0.87) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL11273693 0.80 NR4A2 (0.96) NR4A2NR4A1NR4A3MAOBPARP10

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 833/4885NR4A1 518/4885NR4A3 588/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A NR4A2 899/4885NR4A1 535/4885NR4A3 557/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A NR4A2 842/4885NR4A1 594/4885NR4A3 677/4885

“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.