SCHEMBL710003

SCHEMBL710003

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 14/20 0.47
PLAU P00749 5/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 2/20 0.38
SLC22A1 O15245 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
SLC9A1 P19634 1/20 0.38
MAOA P21397 1/20 0.38
ADORA2A P29274 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL708288 0.89 SCNN1A (0.43) SCNN1APLAUKDM4EALDH1A1GLA
SCHEMBL705438 0.85 SCNN1A (0.42) SCNN1APLAUKDM4EALDH1A1GLA
SCHEMBL709519 0.83 SCNN1A (0.49) SCNN1AKDM4EALDH1A1GLAHPGD
Hydrochloric Acid SCHEMBL709294 0.83 SCNN1A (0.48) SCNN1AKDM4EALDH1A1GLAHPGD
SCHEMBL707207 0.81 SCNN1A (0.46) SCNN1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL708473 0.78 SCNN1A (0.51) SCNN1AKDM4EALDH1A1GLAHPGD
SCHEMBL10028719 0.78 SCNN1A (0.61) SCNN1APLAUKDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL4885454 0.78 KDM4E (0.53) SCNN1APLAUKDM4EALDH1A1GLA
SCHEMBL10116013 0.78 SCNN1A (0.48) SCNN1AKDM4EALDH1A1GLAHPGD
SCHEMBL4885291 0.78 PLAU (0.56) SCNN1APLAUKDM4EALDH1A1GLA

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 4344/4885KDM4E 3151/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885PLAU 4588/4885KDM4E 2068/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885PLAU 4588/4885KDM4E 2068/4885

“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.