SCHEMBL937704

SCHEMBL937704

CC(C)(C)OC(=O)NCCCCc1ccc(S)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
CA1 P00915 7/20 0.52
CA2 P00918 7/20 0.52
SIGMAR1 Q99720 2/20 0.48
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NAMPT P43490 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL8381122 0.96 CA1 (0.53) TDP1CA1CA2SIGMAR1GAA
SCHEMBL31307112 0.87 TDP1 (0.54) TDP1CA1CA2SIGMAR1GAA
SCHEMBL31307113 0.87 TDP1 (0.58) TDP1CA1CA2SIGMAR1GAA
SCHEMBL917871 0.87 TDP1 (0.54) TDP1CA1CA2SIGMAR1GAA
SCHEMBL21482939 0.86 TDP1 (0.53) TDP1CA1CA2SIGMAR1GAA
SCHEMBL938186 0.86 CA1 (0.55) TDP1CA1CA2SIGMAR1GAA
SCHEMBL7272921 0.86 TDP1 (0.56) TDP1CA1CA2SIGMAR1GAA
SCHEMBL4961185 0.85 SIGMAR1 (0.62) TDP1SIGMAR1GAAPOLBNPSR1
SCHEMBL2328583 0.84 TDP1 (0.51) TDP1CA1CA2SIGMAR1GAA
SCHEMBL16264885 0.84 TDP1 (0.55) TDP1CA1CA2SIGMAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022210-B2 3-Aminopyrazine-2-carbonylguanidine derivatives; (4-{4-[N'-(3,5-Diamino-6-chloropyrazine-2-carbonyl)guanidino]butyl}phenoxy)acetic acid 2-piperidin-1-yl-ethyl ester; hydration of mucous membranes; respiratory system and gastrointestinal disorders; skin, eye and vaginal dryness; hypotensive agents; asthma PARION SCIENCES, INC. (US) 2011-09-20 US disclosed
US-8022210-B2 3-Aminopyrazine-2-carbonylguanidine derivatives; (4-{4-[N'-(3,5-Diamino-6-chloropyrazine-2-carbonyl)guanidino]butyl}phenoxy)acetic acid 2-piperidin-1-yl-ethyl ester; hydration of mucous membranes; respiratory system and gastrointestinal disorders; skin, eye and vaginal dryness; hypotensive agents; asthma PARION SCIENCES, INC. (US) 2011-09-20 US disclosed
US-8008494-B2 2-(4-{4-[N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidino]-butyl}phenoxy)-N-(3-dimethylaminopropyl)acetamide dimethanesulfonate; promoting hydration of mucosal surfaces; Sjogren's disease, esophagitis, pneumonia, asthma, otitis, constipation, chronic diverticulitis, rhinosinusitis PARION SCIENCES, INC. (US) 2011-08-30 US disclosed
US-8008494-B2 2-(4-{4-[N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidino]-butyl}phenoxy)-N-(3-dimethylaminopropyl)acetamide dimethanesulfonate; promoting hydration of mucosal surfaces; Sjogren's disease, esophagitis, pneumonia, asthma, otitis, constipation, chronic diverticulitis, rhinosinusitis PARION SCIENCES, INC. (US) 2011-08-30 US disclosed
US-7875619-B2 N-[4-(4-{2-[bis-((2S,3R)-2,3,4-trihydroxybutyl)amino]ethylamino}phenyl)butyl]-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine trihydrochloride; treating chronic bronchitis, cystic fibrosis, ventilator-induced pneumonia, asthma, chronic obstructive pulmonary disease, pneumonia and emphysema PARION SCIENCES, INC. (US) 2011-01-25 US disclosed
US-7875619-B2 N-[4-(4-{2-[bis-((2S,3R)-2,3,4-trihydroxybutyl)amino]ethylamino}phenyl)butyl]-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine trihydrochloride; treating chronic bronchitis, cystic fibrosis, ventilator-induced pneumonia, asthma, chronic obstructive pulmonary disease, pneumonia and emphysema PARION SCIENCES, INC. (US) 2011-01-25 US disclosed
US-7842697-B2 Soluble amide and ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-11-30 US disclosed
US-7842697-B2 Soluble amide and ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-11-30 US disclosed
US-20090324724-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-12-31 US disclosed
US-20090324724-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-12-31 US disclosed
US-7399766-B2 Soluble amide & ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-07-15 US disclosed
EP-1924263-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS WITH SOLUBLE AMIDE AND ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2008-05-28 EP disclosed
WO-2008030217-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS WITH SOLUBLE AMIDE AND ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-03-13 WO disclosed
US-20070021439-A1 Methods of reducing risk of infection from pathogens with soluble amide and ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. 2007-01-25 US disclosed
US-20070021439-A1 Methods of reducing risk of infection from pathogens with soluble amide and ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. 2007-01-25 US disclosed
US-20060142581-A1 Hetero substitued sodium channel blockers PARION SCIENCES, INC. (US) 2006-06-29 US disclosed
EP-1599096-A4 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-03-22 EP disclosed
US-20060040954-A1 Soluble amide & ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2006-02-23 US disclosed
EP-1599096-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2005-11-30 EP disclosed
WO-2004073629-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2004-09-02 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 (4 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-20060142581-A1 Hetero substitued sodium channel blockers SCN2B, CACNA1B, CACNA1G TDP1 4269/4885CA1 2788/4885CA2 329/4885
US-20060040954-A1 Soluble amide & ester pyrazinoylguanidine sodium channel blockers SCN2A, CACNA1B, HCN4 TDP1 4353/4885CA1 1101/4885CA2 187/4885
US-20090324724-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS SCN2A, CACNA1B, HCN4 TDP1 4353/4885CA1 1101/4885CA2 187/4885
US-20070021439-A1 Methods of reducing risk of infection from pathogens with soluble amide and ester pyrazinoylguanidine sodium channel blockers KCNN2, KCNN1, KCNN3 TDP1 4255/4885CA1 1402/4885CA2 217/4885

“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.