SCHEMBL1428391

SCHEMBL1428391

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCc1ccc(OCc2ccccc2)cc1)CNC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.56
▸ MAPT P10636 1/20 0.41
▸ PSMB5 P28074 3/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ PSMB9 P28065 1/20 0.39
▸ EPOR P19235 6/20 0.39
▸ LTA4H P09960 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ SCNN1A P37088 2/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ PSMB1 P20618 2/20 0.38
▸ PSMB2 P49721 2/20 0.38

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
SCHEMBL1428409 0.94 KCNH2 (0.54) KCNH2MAPTPSMB5PSMB8PSMB9
SCHEMBL1134515 0.93 KCNH2 (0.65) KCNH2MAPTPSMB5PSMB8PSMB9
SCHEMBL1134630 0.90 KCNH2 (0.62) KCNH2MAPTPSMB5PSMB8PSMB9
SCHEMBL11980209 0.86 KCNH2 (0.62) KCNH2EPORLTA4HEPHX2SCNN1A
SCHEMBL2075136 0.85 KCNH2 (0.61) KCNH2EPORLTA4HEPHX2SCNN1A
SCHEMBL1134585 0.85 MAPT (0.56) KCNH2MAPT
Hydrochloric Acid SCHEMBL1134542 0.85 KCNH2 (0.60) KCNH2EPORLTA4HEPHX2SCNN1A
SCHEMBL11959314 0.84 KCNH2 (0.64) KCNH2EPORLTA4HEPHX2SCNN1A
SCHEMBL1134587 0.84 SYK (0.53) KCNH2MAPT
Iodide SCHEMBL1428394 0.84 KCNH2 (0.63) KCNH2EPORLTA4HEPHX2SCNN1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300010-B1 PYRAZINE DERIVATIVES AS EPITHELIAL SODIUM CHANNEL BLOCKERS NOVARTIS AG (CH) 2015-03-04 — — EP disclosed
US-8236808-B2 Pyrazine derivatives as ENAC blockers NOVARTIS AG (CH) 2012-08-07 — — US disclosed
US-20110201625-A1 Organic Comopunds NOVARTIS AG (CH) 2011-08-18 — — US disclosed
EP-2300010-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-03-30 — — EP disclosed
WO-2009150137-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 — — 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 (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-20110201625-A1 Organic Comopunds OR10J3, CFTR, CLIC1 KCNH2 49/4885MAPT 1914/4885PSMB5 4335/4885

“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.

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