SCHEMBL4884823

SCHEMBL4884823

CC(C)(C)OC(=O)NCCCCCCCCCCNC(N)=NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 11/20 0.48
SCNN1A P37088 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GLA P06280 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP1A2 P05177 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
MAOA P21397 2/20 0.48
TSHR P16473 2/20 0.48
SLC9A1 P19634 2/20 0.48
FTO Q9C0B1 2/20 0.48
SLC22A1 O15245 1/20 0.48
HTR1A P08908 1/20 0.48
CYP2D6 P10635 1/20 0.48
ADORA2A P29274 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 1/20 0.48

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
SCHEMBL4415799 1.00 PLAU (0.48) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL4885153 1.00 PLAU (0.48) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL4883733 1.00 PLAU (0.48) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL5037182 1.00 PLAU (0.48) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL4412099 1.00 PLAU (0.48) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL5034626 0.94 PLAU (0.46) PLAUSCNN1AKDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL4693836 0.86 KDM4E (0.62) PLAUSCNN1AKDM4EALDH1A1GLA
Bromide SCHEMBL4789645 0.86 PLAU (0.60) PLAUSCNN1AKDM4EALDH1A1GLA
SCHEMBL938196 0.86 SCNN1A (0.49) SCNN1A
SCHEMBL938701 0.86 SCNN1A (0.44) PLAUSCNN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-08-21 US disclosed
US-7375107-B2 Such as N-(6-aminohexyl)-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine Dihydrochloride; for hydration of mucosal surfaces, treating chronic bronchitis, cystic fibrosis, sinusitis, vaginal dryness, dry eye, esophogitis, emphysema, and pneumonia PARION SCIENCES, INC. (US) 2008-05-20 US disclosed
US-20050090505-A1 Methods of reducing risk of infection from pathogens JOHNSON MICHAEL R (US) 2005-04-28 US disclosed
US-20050080092-A1 Alaphatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2005-04-14 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-20050080092-A1 Alaphatic pyrazinoylguanidine sodium channel blockers KCNH1, CACNA1B, CACNA1C PLAU 2000/4885SCNN1A 66/4885KDM4E 3281/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 PLAU 1449/4885SCNN1A 14/4885KDM4E 4810/4885
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS KCNH1, CACNA1B, CACNA1C PLAU 2000/4885SCNN1A 66/4885KDM4E 3281/4885

“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.