SCHEMBL708288

SCHEMBL708288

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 13/20 0.43
PLAU P00749 3/20 0.36
SCN9A Q15858 1/20 0.36
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC22A1 O15245 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
HTR1A P08908 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SLC9A1 P19634 1/20 0.35
MAOA P21397 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL710003 0.89 SCNN1A (0.47) SCNN1APLAUKDM4ESLC22A1ALDH1A1
SCHEMBL709259 0.87 SCNN1A (0.39) SCNN1APLAUSTK17BSTK17AKDM4E
SCHEMBL708287 0.85 SCNN1A (0.45) SCNN1ASCN9AKDM4EALDH1A1LMNA
SCHEMBL4415799 0.83 PLAU (0.48) SCNN1APLAUSTK17BSTK17AKDM4E
SCHEMBL5037182 0.83 PLAU (0.48) SCNN1APLAUSTK17BSTK17AKDM4E
SCHEMBL4412099 0.83 PLAU (0.48) SCNN1APLAUSTK17BSTK17AKDM4E
SCHEMBL4884823 0.83 PLAU (0.48) SCNN1APLAUSTK17BSTK17AKDM4E
SCHEMBL4883733 0.83 PLAU (0.48) SCNN1APLAUSTK17BSTK17AKDM4E
SCHEMBL4885153 0.83 PLAU (0.48) SCNN1APLAUSTK17BSTK17AKDM4E
SCHEMBL2329797 0.82 SCNN1A (0.51) 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 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 16/4885PLAU 4344/4885SCN9A 25/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885PLAU 4588/4885SCN9A 78/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885PLAU 4588/4885SCN9A 78/4885

“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.