SCHEMBL4884819

SCHEMBL4884819

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 13/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
HPGD P15428 2/20 0.39
NFKB1 P19838 2/20 0.39
THPO P40225 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
STAT6 P42226 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL4884842 1.00 SCNN1A (0.44) SCNN1ATDP1MAOAMAOBSTK17B
SCHEMBL4883729 1.00 SCNN1A (0.44) SCNN1ATDP1MAOAMAOBSTK17B
SCHEMBL4415794 1.00 SCNN1A (0.44) SCNN1ATDP1MAOAMAOBSTK17B
SCHEMBL4885148 1.00 SCNN1A (0.44) SCNN1ATDP1MAOAMAOBSTK17B
SCHEMBL4412096 1.00 SCNN1A (0.44) SCNN1ATDP1MAOAMAOBSTK17B
SCHEMBL14088224 0.97 SCNN1A (0.43) SCNN1ATDP1MAOAMAOBSTK17B
SCHEMBL4418467 0.94 SCNN1A (0.41) SCNN1ATDP1STK17BSTK17AKDM4E
SCHEMBL1134533 0.89 TDP1 (0.49) SCNN1ATDP1MAOAMAOBSTK17B
SCHEMBL14088241 0.89 SCNN1A (0.41) SCNN1ATDP1KDM4EALDH1A1CYP1A2
SCHEMBL25943316 0.88 SCNN1A (0.47) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 66/4885TDP1 3626/4885MAOA 1834/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 SCNN1A 14/4885TDP1 3629/4885MAOA 1201/4885
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS KCNH1, CACNA1B, CACNA1C SCNN1A 66/4885TDP1 3626/4885MAOA 1834/4885

“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.