SCHEMBL938372

SCHEMBL938372

N=C(NCCCCc1ccc(NC[C@@H](O)CO)cc1)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 20/20 0.52

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
SCHEMBL12944585 0.94 SCNN1A (0.49) SCNN1A
SCHEMBL12869094 0.93 SCNN1A (0.54) SCNN1A
SCHEMBL938254 0.88 SCNN1A (0.52) SCNN1A
SCHEMBL14156585 0.88 SCNN1A (0.46) SCNN1A
Hydrochloric Acid SCHEMBL938696 0.87 SCNN1A (0.51) SCNN1A
SCHEMBL964851 0.86 SCNN1A (0.52) SCNN1A
552-02 Free Base SCHEMBL2015162 0.86 SCNN1A (0.71) SCNN1A
552-02 Free Base SCHEMBL9913757 0.86 SCNN1A (0.71) SCNN1A
552-02 Free Base SCHEMBL9913774 0.86 SCNN1A (0.71) SCNN1A
SCHEMBL9913777 0.86 SCNN1A (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1599096-B1 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-12-24 EP disclosed
US-20060142581-A1 Hetero substitued sodium channel blockers PARION SCIENCES, INC. (US) 2006-06-29 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 (1 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 SCNN1A 59/4885

“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.