SCHEMBL709259

SCHEMBL709259

CC(C)(C)OC(=O)NCCCOc1ccc(CCCCNC(N)=NC(=O)c2nc(Cl)c(N)nc2N)c2c1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 17/20 0.39
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SLC22A1 O15245 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLAU P00749 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
HTR1A P08908 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SLC9A1 P19634 1/20 0.34
MAOA P21397 1/20 0.34
ADORA2A P29274 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1A P35348 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
SCHEMBL705438 0.89 SCNN1A (0.42) SCNN1AKDM4ESLC22A1ALDH1A1PLAU
SCHEMBL708288 0.87 SCNN1A (0.43) SCNN1ASTK17BSTK17AKDM4ESLC22A1
SCHEMBL709258 0.85 SCNN1A (0.41) SCNN1A
SCHEMBL2329797 0.82 SCNN1A (0.51) SCNN1ACA12CA1CA2CA9
SCHEMBL4883733 0.81 PLAU (0.48) SCNN1ASTK17BSTK17AKDM4ESLC22A1
SCHEMBL4884823 0.81 PLAU (0.48) SCNN1ASTK17BSTK17AKDM4ESLC22A1
SCHEMBL4415799 0.81 PLAU (0.48) SCNN1ASTK17BSTK17AKDM4ESLC22A1
SCHEMBL5037182 0.81 PLAU (0.48) SCNN1ASTK17BSTK17AKDM4ESLC22A1
SCHEMBL4412099 0.81 PLAU (0.48) SCNN1ASTK17BSTK17AKDM4ESLC22A1
SCHEMBL4885153 0.81 PLAU (0.48) SCNN1ASTK17BSTK17AKDM4ESLC22A1

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 16/4885STK17B 3014/4885STK17A 3690/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885STK17B 2395/4885STK17A 2927/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885STK17B 2395/4885STK17A 2927/4885

“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.