SCHEMBL15442692

SCHEMBL15442692

N=C(N)NCCCOc1ccc(CCCCN(C(=N)N)C(=O)c2nc(Cl)c(N)nc2N)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 17/20 0.42
KMT2A Q03164 1/20 0.34
GRM5 P41594 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FTO Q9C0B1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL708339 0.94 SCNN1A (0.42) SCNN1AKMT2AKCNH2KDM4ENPC1
SCHEMBL15442695 0.91 SCNN1A (0.42) SCNN1AKMT2AGRM5KDM4EALDH1A1
SCHEMBL708473 0.84 SCNN1A (0.51) SCNN1AKDM4ENPC1ALDH1A1CYP1A2
SCHEMBL15442690 0.83 SCNN1A (0.38) SCNN1AKDM4ENPC1ALDH1A1CYP1A2
SCHEMBL708474 0.81 SCNN1A (0.67) SCNN1A
Hydrochloric Acid SCHEMBL5720664 0.80 SCNN1A (0.41) SCNN1AKDM4ENPC1ALDH1A1CYP1A2
SCHEMBL15792081 0.80 SCNN1A (0.38) SCNN1AKMT2AKDM4ENPC1ALDH1A1
Hydrochloric Acid SCHEMBL5673038 0.79 SCNN1A (0.50) SCNN1A
Hydrochloric Acid SCHEMBL4415671 0.79 KDM4E (0.39) SCNN1AKMT2AKDM4ENPC1ALDH1A1
Hydrochloric Acid SCHEMBL4878089 0.79 KDM4E (0.39) SCNN1AKMT2AKDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 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-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885KMT2A 1510/4885GRM5 1698/4885

“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.