SCHEMBL1930596

SCHEMBL1930596

NC(=O)CCCCCCCCCCCNC(N)=NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 11/20 0.56
SCNN1A P37088 7/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GLA P06280 3/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 3/20 0.56
CYP1A2 P05177 3/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
TSHR P16473 2/20 0.56
SLC9A1 P19634 2/20 0.56
FTO Q9C0B1 2/20 0.56
SLC22A1 O15245 1/20 0.56
HTR1A P08908 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAOA P21397 1/20 0.56
ADORA2A P29274 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA1A P35348 1/20 0.56

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
Bromide SCHEMBL4789645 0.94 PLAU (0.60) PLAUSCNN1AKDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL4693836 0.94 KDM4E (0.62) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL1929320 0.93 SCNN1A (0.53) PLAUSCNN1AKDM4EALDH1A1GLA
Bromide SCHEMBL4693426 0.92 PLAU (0.61) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL4885291 0.90 PLAU (0.56) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL3528728 0.90 PLAU (0.58) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL13165429 0.90 PLAU (0.58) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL829887 0.89 PLAU (0.47) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL14088259 0.89 SCNN1A (0.58) PLAUSCNN1AKDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL4880758 0.89 KDM4E (0.57) PLAUSCNN1AKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956059-B2 Aliphatic amide and ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2011-06-07 US disclosed
US-20090227594-A1 ALIPHATIC AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. 2009-09-10 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-20090227594-A1 ALIPHATIC AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS KCNH2, CACNA1B, SCNN1G PLAU 3642/4885SCNN1A 14/4885KDM4E 1875/4885

“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.