SCHEMBL10115879

SCHEMBL10115879

CC(C)(C)OC(=O)/N=C(\NCCCOc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 19/20 0.46
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
HPGD P15428 2/20 0.34
NFKB1 P19838 2/20 0.34
THPO P40225 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
STAT6 P42226 1/20 0.34
RECQL P46063 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL10115748 1.00 SCNN1A (0.46) SCNN1AKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL708287 0.92 SCNN1A (0.45) SCNN1AKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL19820054 0.89 SCNN1A (0.39) SCNN1AKDM4EALDH1A1MAPT
SCHEMBL10115947 0.88 SCNN1A (0.42) SCNN1A
SCHEMBL19820056 0.86 SCNN1A (0.37) SCNN1AKDM4EMAPT
SCHEMBL10116013 0.85 SCNN1A (0.48) SCNN1AKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL14088241 0.85 SCNN1A (0.41) SCNN1AKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL709519 0.84 SCNN1A (0.49) SCNN1AKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL708473 0.84 SCNN1A (0.51) SCNN1AKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL2331461 0.84 SCNN1A (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124607-B2 Poly aromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-08-27 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-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885KDM4E 2068/4885ALDH1A1 1287/4885

“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.