SCHEMBL2325792

SCHEMBL2325792

CC(C)(C)OC(=O)NCCOc1ccc(CCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA9 Q16790 5/20 0.53
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
IDO1 P14902 1/20 0.50
HTT P42858 1/20 0.49
SUCNR1 Q9BXA5 2/20 0.49
SYK P43405 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
SIGMAR1 Q99720 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
SCHEMBL2328174 1.00 MAPT (0.65) MAPTL3MBTL1CA12CA1CA2
SCHEMBL15092810 0.99 MAPT (0.64) MAPTL3MBTL1CA12CA1CA2
SCHEMBL2289064 0.93 MAPT (0.57) MAPTL3MBTL1CA12CA1CA2
SCHEMBL17086058 0.93 MAPT (0.60) MAPTL3MBTL1CA12CA1CA2
SCHEMBL16572342 0.90 MAPT (0.53) MAPTL3MBTL1CA12CA1CA2
SCHEMBL16808347 0.90 MAPT (0.59) MAPTL3MBTL1LMNASMN1; SMN2IDO1
SCHEMBL10115818 0.90 MAPT (0.55) MAPTL3MBTL1CA12CA1CA2
SCHEMBL15096997 0.90 MAPT (0.57) MAPTL3MBTL1CA12CA1CA2
SCHEMBL7275476 0.89 BCHE (0.56) CA12CA1CA2CA9SIGMAR1
SCHEMBL23884216 0.88 MAPT (0.69) MAPTL3MBTL1CA12CA1CA2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241528-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2019-08-08 US disclosed
US-10167266-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2019-01-01 US disclosed
US-20170334864-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL(2,3,4,5,6-PENTAHYDROXYHEXYL)AMINO)ETHOXY)PHENYL)BUTYL) CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDE PARION SCIENCES, INC. (US) 2017-11-23 US disclosed
US-20170305868-A1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2017-10-26 US disclosed
US-20170267650-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2017-09-21 US disclosed
EP-2931711-B1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES INC (US) 2017-08-02 EP disclosed
US-9586911-B2 Arylalkyl- and aryloxyalkyl-substituted epthelial sodium channel blocking compounds PARION SCIENCES, INC. (US) 2017-03-07 US disclosed
US-9586910-B2 3,5-diamino-6-chloro-N-(N-(4-(4-(2-(hexyl(2,3,4,5,6-pentahydroxyhexyl)amino)ethoxy)phenyl)butyl)carbamimidoyl)pyrazine-2-carboxamide PARION SCIENCES, INC. (US) 2017-03-07 US disclosed
EP-3034497-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL(2,3,4,5,6-PENTA-HYDROXYHEXYL)AMINO)ETHOXY)PHENYL)BUTYL) CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDE Parion Sciences, Inc. (US) 2016-06-22 EP disclosed
US-20160122306-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. (US) 2016-05-05 US disclosed
US-20130012692-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2013-01-10 US disclosed
US-8198286-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-06-12 US disclosed
EP-1485360-B1 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2011-08-17 EP disclosed
US-20090227530-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-09-10 US disclosed
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-03-05 US disclosed
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-11-15 US disclosed
EP-1485360-A4 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-07-05 EP disclosed
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents CYFI, INC. (US) 2006-06-29 US disclosed
EP-1485360-A2 SODIUM CHANNEL BLOCKERS Johnson, Michael R. (US) 2004-12-15 EP disclosed
WO-2003070182-A2 SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2003-08-28 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 (11 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-20170267650-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A MAPT 2837/4885L3MBTL1 4049/4885CA12 835/4885
US-10167266-B2 Sodium channel blockers SCNN1B, SCNN1A, SCNN1G MAPT 4240/4885L3MBTL1 4838/4885CA12 610/4885
US-20170334864-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL(2,3,4,5,6-PENTAHYDROXYHEXYL)AMINO)ETHOXY)PHENYL)BUTYL) CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDE CFTR, ELANE, IL5 MAPT 4015/4885L3MBTL1 4531/4885CA12 913/4885
US-20160122306-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G MAPT 3343/4885L3MBTL1 4875/4885CA12 1001/4885
US-20170305868-A1 ARYLALKYL-AND ARYLOXYALKYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1A MAPT 4148/4885L3MBTL1 4397/4885CA12 2813/4885
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B MAPT 3367/4885L3MBTL1 2716/4885CA12 1314/4885
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents ADRB2, ADRB3, ADRA1D MAPT 2922/4885L3MBTL1 3415/4885CA12 1619/4885
US-20090227530-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A MAPT 2837/4885L3MBTL1 4049/4885CA12 835/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A MAPT 2837/4885L3MBTL1 4049/4885CA12 835/4885
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B MAPT 3367/4885L3MBTL1 2716/4885CA12 1314/4885
US-20190241528-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A MAPT 2837/4885L3MBTL1 4049/4885CA12 835/4885

“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.