SCHEMBL4875004

SCHEMBL4875004

CC(C)(C)OC(=O)NCCOC(=O)COc1ccc(CCCCN(C(=N)N)C(=O)c2nc(Cl)c(N)nc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 15/20 0.44
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 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
SCHEMBL4135398 0.95 SCNN1A (0.46) SCNN1ACA12CA1CA2CA9
SCHEMBL4135385 0.86 SCNN1A (0.47) SCNN1A
SCHEMBL4135383 0.86 SCNN1A (0.47) SCNN1A
Hydrochloric Acid SCHEMBL4294352 0.85 SCNN1A (0.48) SCNN1A
SCHEMBL2286255 0.84 SCNN1A (0.51) SCNN1A
SCHEMBL939050 0.84 SCNN1A (0.48) SCNN1A
Hydrochloric Acid SCHEMBL5673038 0.84 SCNN1A (0.50) SCNN1A
SCHEMBL5672868 0.83 SCNN1A (0.45) SCNN1A
SCHEMBL2286257 0.83 SCNN1A (0.49) SCNN1ACA12CA1CA2CA9
SCHEMBL5720680 0.82 TLR7 (0.44) SCNN1ACA1CA2

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-20080171879-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-07-17 US disclosed
EP-1786426-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2007-05-23 EP 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
WO-2006022935-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2006-03-02 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 (2 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-20080171879-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS SCN2A, CACNA1B, HCN4 SCNN1A 13/4885CA12 1108/4885CA1 1101/4885
US-20070021439-A1 Methods of reducing risk of infection from pathogens with soluble amide and ester pyrazinoylguanidine sodium channel blockers KCNN2, KCNN1, KCNN3 SCNN1A 29/4885CA12 1979/4885CA1 1402/4885

“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.