SCHEMBL917438

SCHEMBL917438

O=C1c2ccccc2C(=O)N1CCCCc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CA1 P00915 4/20 0.59
CA2 P00918 4/20 0.59
CA9 Q16790 3/20 0.59
CA4 P22748 1/20 0.59
CA12 O43570 2/20 0.51
CASP3 P42574 1/20 0.50
CYP1B1 Q16678 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
SCHEMBL22908419 0.90 CA1 (0.73) TDP1L3MBTL1CA1CA2CA9
SCHEMBL1179176 0.82 CA1 (0.73) CA1CA2CA9CA4CA12
SCHEMBL31709781 0.82 CA1 (0.73) CA1CA2CA9CA4CA12
SCHEMBL916601 0.81 TDP1 (0.96) TDP1L3MBTL1CASP3CYP1B1
SCHEMBL9220253 0.80 TDP1 (0.76) TDP1L3MBTL1CASP3CYP1B1
SCHEMBL29263641 0.80 TDP1 (1.00) TDP1L3MBTL1CASP3CYP1B1
SCHEMBL8434811 0.80 TDP1 (1.00) TDP1L3MBTL1CASP3CYP1B1
SCHEMBL9219707 0.80 TDP1 (1.00) TDP1L3MBTL1CASP3CYP1B1
SCHEMBL5093425 0.80 TDP1 (1.00) TDP1L3MBTL1CASP3CYP1B1
SCHEMBL31035964 0.80 TDP1 (1.00) TDP1L3MBTL1CASP3CYP1B1

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 51 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
US-8431579-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-04-30 US 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-20110046158-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-02-24 US 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
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 (7 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 TDP1 4325/4885L3MBTL1 4335/4885CA1 814/4885
US-20060052394-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885CA1 814/4885
US-20050080091-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885CA1 814/4885
US-20050234072-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885CA1 814/4885
US-20050228182-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885CA1 814/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 TDP1 3629/4885L3MBTL1 1373/4885CA1 1067/4885
US-20060052395-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885CA1 814/4885

“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.