SCHEMBL936152

SCHEMBL936152

CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(CCCCNC(N)=NC(=O)c2nc(Cl)c(N)nc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SCNN1A P37088 15/20 0.42

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
SCHEMBL938701 0.90 SCNN1A (0.44) SCNN1A
SCHEMBL937595 0.88 SCNN1A (0.38) TLR7SCNN1A
SCHEMBL938196 0.86 SCNN1A (0.49) SCNN1A
SCHEMBL2329797 0.86 SCNN1A (0.51) CA1CA2SCNN1A
Hydrochloric Acid SCHEMBL936404 0.86 SCNN1A (0.44) SCNN1A
Hydrochloric Acid SCHEMBL938338 0.85 SCNN1A (0.46) SCNN1A
SCHEMBL936151 0.84 TLR7 (0.45) TLR7CA1CA2SCNN1A
SCHEMBL5037182 0.84 PLAU (0.48) SCNN1A
SCHEMBL4884823 0.84 PLAU (0.48) SCNN1A
SCHEMBL4883733 0.84 PLAU (0.48) 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 3 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
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 TLR7 4686/4885CA1 2788/4885CA2 329/4885

“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.