SCHEMBL980871

SCHEMBL980871

N#CC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.59
NR4A2 P43354 6/20 0.54
MAOB P27338 4/20 0.53
MAOA P21397 3/20 0.53
FFAR1 O14842 1/20 0.50
SMPD1 P17405 2/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 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
SCHEMBL30413678 1.00 MRGPRX4 (0.59) MRGPRX4NR4A2MAOBMAOAFFAR1
SCHEMBL30412528 0.85 MRGPRX4 (0.80) MRGPRX4NR4A2RXRARXRBRXRG
SCHEMBL977116 0.85 MRGPRX4 (0.63) MRGPRX4NR4A2MAOBMAOAFFAR1
SCHEMBL30413265 0.85 MRGPRX4 (0.63) MRGPRX4NR4A2MAOBMAOAFFAR1
SCHEMBL977279 0.85 MRGPRX4 (0.80) MRGPRX4NR4A2RXRARXRBRXRG
SCHEMBL540344 0.84 MAOB (0.75) MRGPRX4NR4A2MAOBMAOAFFAR1
SCHEMBL978425 0.82 NR4A2 (0.53) MRGPRX4NR4A2MAOBMAOASMPD1
SCHEMBL30414012 0.82 NR4A2 (0.53) MRGPRX4NR4A2MAOBMAOASMPD1
SCHEMBL978691 0.82 NR4A2 (0.72) MRGPRX4NR4A2MAOBSMPD1
SCHEMBL30413542 0.82 NR4A2 (0.72) MRGPRX4NR4A2MAOBSMPD1

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 12 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
CN-103705519-B Cyclic triazo and diazo sodium channel blockers 格林威治大学 2017-04-19 CN 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 MRGPRX4 473/4885NR4A2 833/4885MAOB 285/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A MRGPRX4 240/4885NR4A2 899/4885MAOB 346/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A MRGPRX4 418/4885NR4A2 842/4885MAOB 289/4885

“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.