SCHEMBL5029299

SCHEMBL5029299

N=C(NCCCCC1CCN(CC(O)CO)CC1)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 15/20 0.36
CXCR3 P49682 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HIF1A Q16665 1/20 0.32
FTO Q9C0B1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GMNN O75496 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL14189645 0.88 SCNN1A (0.41) SCNN1ACXCR3KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL5032353 0.87 SCNN1A (0.40) SCNN1ACXCR3KDM4EALDH1A1GLA
SCHEMBL14189634 0.87 SCNN1A (0.40) SCNN1ACXCR3KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL5031385 0.86 SCNN1A (0.39) SCNN1ACXCR3KDM4EALDH1A1GLA
SCHEMBL14189637 0.86 SCNN1A (0.36) SCNN1AKDM4EALDH1A1GLAHPGD
SCHEMBL14287016 0.85 SCNN1A (0.41) SCNN1ACXCR3KDM4EALDH1A1HPGD
SCHEMBL14287042 0.85 SCNN1A (0.43) SCNN1ACXCR3ALDH1A1CYP2D6
SCHEMBL14216510 0.85 SCNN1A (0.37) SCNN1ACXCR3KDM4EALDH1A1GLA
SCHEMBL14189638 0.85 SCNN1A (0.36) SCNN1AKDM4EALDH1A1GLAHPGD
Hydrochloric Acid SCHEMBL5031393 0.85 GNAI3 (0.37) SCNN1AKDM4EALDH1A1GLAHPGD

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
US-20080103148-A1 CYCLIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-05-01 US disclosed
US-20080103148-A1 CYCLIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-05-01 US disclosed
US-20080103148-A1 CYCLIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-05-01 US disclosed
US-7317013-B2 Cyclic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-01-08 US disclosed
US-7317013-B2 Cyclic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-01-08 US disclosed
US-7317013-B2 Cyclic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-01-08 US disclosed
US-20050090505-A1 Methods of reducing risk of infection from pathogens JOHNSON MICHAEL R (US) 2005-04-28 US disclosed
US-20050059676-A1 Cyclic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2005-03-17 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-20080103148-A1 CYCLIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, KCNH2, CACNA1B SCNN1A 36/4885CXCR3 2398/4885KDM4E 2384/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 SCNN1A 14/4885CXCR3 1914/4885KDM4E 4810/4885
US-20050059676-A1 Cyclic pyrazinoylguanidine sodium channel blockers HCN4, KCNH2, CACNA1B SCNN1A 36/4885CXCR3 2398/4885KDM4E 2384/4885

“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.