SCHEMBL3799015

SCHEMBL3799015

CCCCNC(=N)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 18/20 0.57
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
NPC1 O15118 2/20 0.43
GLA P06280 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
NFKB1 P19838 2/20 0.43
THPO P40225 2/20 0.43
HIF1A Q16665 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
FTO Q9C0B1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
GMNN O75496 2/20 0.42
PMP22 Q01453 2/20 0.42

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
SCHEMBL829702 0.96 SCNN1A (0.59) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14190133 0.95 SCNN1A (0.61) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14190128 0.95 SCNN1A (0.61) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14190122 0.95 SCNN1A (0.61) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14088251 0.95 SCNN1A (0.61) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13090581 0.95 SCNN1A (0.61) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12433373 0.95 SCNN1A (0.61) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14190132 0.95 SCNN1A (0.61) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13090579 0.95 SCNN1A (0.61) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13907679 0.92 SCNN1A (0.53) SCNN1AALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578042-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) 2023-02-14 US disclosed
EP-3366680-B1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES INC (US) 2020-05-13 EP disclosed
US-20180111907-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. 2018-04-26 US disclosed
US-9878988-B2 Dendrimer like amino amides possessing sodium channel blocker activity for the treatment of dry eye and other mucosal diseases PARION SCIENCES, INC. (US) 2018-01-30 US disclosed
US-9655896-B2 Chemically and metabolically stable dipeptide possessing potent sodium channel blocker activity PARION SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9655896-B2 Chemically and metabolically stable dipeptide possessing potent sodium channel blocker activity PARION SCIENCES, INC. (US) 2017-05-23 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
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
US-20150290189-A1 CHEMICALLY AND METABOLICALLY STABLE DIPEPTIDE POSSESSING POTENT SODIUM CHANNEL BLOCKER ACTIVITY PARION SCIENCES, INC. (US) 2015-10-15 US disclosed
US-20150290189-A1 CHEMICALLY AND METABOLICALLY STABLE DIPEPTIDE POSSESSING POTENT SODIUM CHANNEL BLOCKER ACTIVITY PARION SCIENCES, INC. (US) 2015-10-15 US disclosed
US-20130178482-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) 2013-07-11 US disclosed
US-7807834-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-05 US disclosed
US-7807834-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-05 US disclosed
US-20100144661-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-03-05 US disclosed
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-08-21 US disclosed
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-08-21 US disclosed
EP-1485360-A4 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-07-05 EP 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 (7 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-20150290189-A1 CHEMICALLY AND METABOLICALLY STABLE DIPEPTIDE POSSESSING POTENT SODIUM CHANNEL BLOCKER ACTIVITY CACNA1B, SCN1B, KCNB1 SCNN1A 49/4885ALDH1A1 943/4885KDM4E 3095/4885
US-11578042-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 CFTR, ELANE, IL5 SCNN1A 314/4885ALDH1A1 2810/4885KDM4E 3485/4885
US-20130178482-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 SCNN1A 314/4885ALDH1A1 2810/4885KDM4E 3485/4885
US-20100144661-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN5A, SCN2B SCNN1A 20/4885ALDH1A1 1372/4885KDM4E 2538/4885
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B SCNN1A 30/4885ALDH1A1 1151/4885KDM4E 3448/4885
US-20180111907-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G SCNN1A 2/4885ALDH1A1 2317/4885KDM4E 3036/4885
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS KCNH1, CACNA1B, CACNA1C SCNN1A 66/4885ALDH1A1 1639/4885KDM4E 3281/4885

“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.