SCHEMBL708339

SCHEMBL708339

N=C(N)N(CCCCc1ccc(OCCCNC(=O)O)c2ccccc12)C(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 15/20 0.42
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
HIF1A Q16665 1/20 0.33
FTO Q9C0B1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSA P10619 1/20 0.33
GMNN O75496 1/20 0.33

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
SCHEMBL15442692 0.94 SCNN1A (0.42) SCNN1AKMT2AKCNH2KDM4EALDH1A1
SCHEMBL15442695 0.90 SCNN1A (0.42) SCNN1AKMT2AKDM4EALDH1A1
SCHEMBL15442690 0.81 SCNN1A (0.38) SCNN1AKDM4EALDH1A1GLAHPGD
SCHEMBL15792081 0.81 SCNN1A (0.38) SCNN1AKMT2AKDM4EALDH1A1GLA
SCHEMBL710027 0.79 SCNN1A (0.44) SCNN1AKCNH2
SCHEMBL708473 0.78 SCNN1A (0.51) SCNN1AKDM4EALDH1A1GLAHPGD
SCHEMBL709519 0.76 SCNN1A (0.49) SCNN1AKDM4EALDH1A1GLAHPGD
SCHEMBL15792301 0.76 CTSS (0.40) SCNN1AFTOCTSA
SCHEMBL10116013 0.76 SCNN1A (0.48) SCNN1AKCNH2KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL709294 0.76 SCNN1A (0.48) SCNN1AKDM4EALDH1A1GLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257296-B1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2014-05-07 EP disclosed
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-05-10 US disclosed
US-8124607-B2 Poly aromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-02-28 US disclosed
EP-2257296-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2010-12-08 EP disclosed
WO-2009139948-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2009-11-19 WO 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 (3 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-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, SCN2B, KCNH1 SCNN1A 16/4885KMT2A 1557/4885KCNH2 6/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885KMT2A 1510/4885KCNH2 6/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885KMT2A 1510/4885KCNH2 6/4885

“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.