SCHEMBL4418467

SCHEMBL4418467

CC(C)(C)OC(=O)NCCCOCCCNC(=N)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 15/20 0.41
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36

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
SCHEMBL14088224 0.95 SCNN1A (0.43) SCNN1ASTK17BSTK17AALDH1A1TDP1
SCHEMBL4412096 0.94 SCNN1A (0.44) SCNN1ASTK17BSTK17ACA12CA1
SCHEMBL4884819 0.94 SCNN1A (0.44) SCNN1ASTK17BSTK17ACA12CA1
SCHEMBL4883729 0.94 SCNN1A (0.44) SCNN1ASTK17BSTK17ACA12CA1
SCHEMBL4415794 0.94 SCNN1A (0.44) SCNN1ASTK17BSTK17ACA12CA1
SCHEMBL4884842 0.94 SCNN1A (0.44) SCNN1ASTK17BSTK17ACA12CA1
SCHEMBL4885148 0.94 SCNN1A (0.44) SCNN1ASTK17BSTK17ACA12CA1
SCHEMBL14088244 0.89 SCNN1A (0.38) SCNN1AALDH1A1TDP1NPC1KDM4E
SCHEMBL4884505 0.87 SCNN1A (0.35) SCNN1AALDH1A1TDP1NPC1KDM4E
SCHEMBL14190064 0.86 SCNN1A (0.42) SCNN1A

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-1670475-A4 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2009-04-15 EP 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
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-08-21 US disclosed
US-7375107-B2 Such as N-(6-aminohexyl)-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine Dihydrochloride; for hydration of mucosal surfaces, treating chronic bronchitis, cystic fibrosis, sinusitis, vaginal dryness, dry eye, esophogitis, emphysema, and pneumonia PARION SCIENCES, INC. (US) 2008-05-20 US disclosed
US-7375107-B2 Such as N-(6-aminohexyl)-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine Dihydrochloride; for hydration of mucosal surfaces, treating chronic bronchitis, cystic fibrosis, sinusitis, vaginal dryness, dry eye, esophogitis, emphysema, and pneumonia PARION SCIENCES, INC. (US) 2008-05-20 US disclosed
EP-1670475-A2 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2006-06-21 EP disclosed
EP-1656096-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS Parion Sciences, Inc. (US) 2006-05-17 EP disclosed
US-20050090505-A1 Methods of reducing risk of infection from pathogens JOHNSON MICHAEL R (US) 2005-04-28 US disclosed
WO-2005034847-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS PARION SCIENCES, INC. (US) 2005-04-21 WO disclosed
US-20050080092-A1 Alaphatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2005-04-14 US disclosed
WO-2005025496-A2 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2005-03-24 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-20050080092-A1 Alaphatic pyrazinoylguanidine sodium channel blockers KCNH1, CACNA1B, CACNA1C SCNN1A 66/4885STK17B 2946/4885STK17A 3559/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 SCNN1A 14/4885STK17B 4564/4885STK17A 4706/4885
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS KCNH1, CACNA1B, CACNA1C SCNN1A 66/4885STK17B 2946/4885STK17A 3559/4885

“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.