SCHEMBL976715

SCHEMBL976715

Cc1ccc(S(=O)(=O)O)cc1.Nc1nnc(-c2c(Cl)ccc(Cl)c2Cl)c(N)n1

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.42
MAPK1 P28482 2/20 0.42
MAOA P21397 1/20 0.42
ADRA1A P35348 1/20 0.42
SCN4A P35499 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
PDE3A Q14432 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL977457 0.88 CYP2D6 (0.37) CYP2D6MAPK1MAOAADRA1ASCN4A
SCHEMBL977169 0.81 ALDH1A1 (0.40) CYP2D6MAPK1ALDH1A1MAPTHTT
SCHEMBL980484 0.80 SCN9A (0.60) CYP2D6MAPK1MAOAADRA1ASCN4A
SCHEMBL979593 0.76 FABP3 (0.39) CYP2D6MAPK1ALDH1A1MAPTHTT
SCHEMBL1657067 0.71 HSP90AA1 (0.57) CYP2D6MAPK1ALDH1A1MAPTHTT
Lamotrigine SCHEMBL1937559 0.69 SCN9A (0.78) CYP2D6MAPK1MAOAADRA1ASCN4A
SCHEMBL11691939 0.67 ALDH1A1 (0.56) CYP2D6MAPK1ALDH1A1MAPTHTT
SCHEMBL976598 0.67 SCN9A (0.67) CYP2D6MAPK1MAOAADRA1ASCN4A
SCHEMBL6373767 0.67 CYP2D6 (0.54) CYP2D6MAPK1MAOAADRA1ASCN4A
Hydroxyamine SCHEMBL599912 0.66 ALDH1A1 (0.58) CYP2D6MAPK1ALDH1A1MAPTHTT

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-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
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 CYP2D6 1326/4885MAPK1 3993/4885MAOA 321/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A CYP2D6 3472/4885MAPK1 2697/4885MAOA 460/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A CYP2D6 1055/4885MAPK1 3755/4885MAOA 347/4885

“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.