SCHEMBL915776

SCHEMBL915776

N#CCCCOc1ccc(CCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 1/20 0.51
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TGM2 P21980 1/20 0.49
S1PR1 P21453 4/20 0.48
FFAR1 O14842 2/20 0.48
S1PR3 Q99500 2/20 0.47
S1PR5 Q9H228 1/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
GUSB P08236 1/20 0.47
BCHE P06276 1/20 0.46
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46

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
SCHEMBL937424 0.85 MAPT (0.62) MAPTL3MBTL1HTTKEAP1NFE2L2
SCHEMBL16572084 0.85 L3MBTL1 (0.69) MAPTL3MBTL1HTTKEAP1NFE2L2
SCHEMBL7604913 0.85 HTT (0.65) HTTKEAP1NFE2L2LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL937423 0.84 MAPT (0.61) MAPTL3MBTL1HTTKEAP1NFE2L2
SCHEMBL16804687 0.84 L3MBTL1 (0.67) MAPTL3MBTL1HTTKEAP1NFE2L2
SCHEMBL16572340 0.84 L3MBTL1 (0.64) MAPTL3MBTL1HTTKEAP1NFE2L2
SCHEMBL3797832 0.84 L3MBTL1 (0.64) MAPTL3MBTL1HTTKEAP1NFE2L2
SCHEMBL969073 0.83 MAPT (0.63) MAPTL3MBTL1HTTLMNASMN1; SMN2
SCHEMBL12176970 0.83 HTT (0.67) L3MBTL1HTTKEAP1NFE2L2LMNA
SCHEMBL17086053 0.83 L3MBTL1 (0.62) MAPTL3MBTL1HTTKEAP1NFE2L2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663235-B1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2013-07-24 EP disclosed
US-8431579-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-04-30 US disclosed
EP-2465852-A1 Capped pyrazinoylguanidine sodium channel blockers Parion Sciences, Inc. (US) 2012-06-20 EP disclosed
US-20110046158-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-02-24 US disclosed
US-7868010-B2 N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N-(4-{4-[3-(1H-tetrazol-5-yl)propoxy]phenyl}butyl)guanidine hydrochloride; absorbed less rapidly from mucosal surfaces, less reversible PARION SCIENCES, INC. (US) 2011-01-11 US disclosed
US-7868010-B2 N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N-(4-{4-[3-(1H-tetrazol-5-yl)propoxy]phenyl}butyl)guanidine hydrochloride; absorbed less rapidly from mucosal surfaces, less reversible PARION SCIENCES, INC. (US) 2011-01-11 US disclosed
US-20090018144-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-01-15 US disclosed
US-20090018144-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-01-15 US disclosed
EP-1663235-A4 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-11-12 EP disclosed
US-7410968-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-08-12 US disclosed
EP-1663235-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2006-06-07 EP disclosed
EP-1656096-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS Parion Sciences, Inc. (US) 2006-05-17 EP disclosed
US-20060052395-A1 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2006-03-09 US disclosed
US-20060052394-A1 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2006-03-09 US disclosed
US-20050234072-A1 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC., DURHAM, NC 2005-10-20 US disclosed
US-20050228182-A1 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2005-10-13 US disclosed
US-20050090505-A1 Methods of reducing risk of infection from pathogens JOHNSON MICHAEL R (US) 2005-04-28 US disclosed
WO-2005034847-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS PARION SCIENCES, INC. (US) 2005-04-21 WO disclosed
US-20050080091-A1 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2005-04-14 US disclosed
WO-2005018644-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2005-03-03 WO 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 (8 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-20110046158-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 MAPT 1775/4885L3MBTL1 4335/4885HTT 886/4885
US-20060052394-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 MAPT 1775/4885L3MBTL1 4335/4885HTT 886/4885
US-20050080091-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 MAPT 1775/4885L3MBTL1 4335/4885HTT 886/4885
US-20050234072-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 MAPT 1775/4885L3MBTL1 4335/4885HTT 886/4885
US-20050228182-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 MAPT 1775/4885L3MBTL1 4335/4885HTT 886/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 MAPT 3864/4885L3MBTL1 1373/4885HTT 2397/4885
US-20060052395-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 MAPT 1775/4885L3MBTL1 4335/4885HTT 886/4885
US-20090018144-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS SCNN1B, SCNN1G, SCNN1A MAPT 2501/4885L3MBTL1 4861/4885HTT 3102/4885

“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.