Sugi Predict

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SCHEMBL916601

SCHEMBL916601

O=C1c2ccccc2C(=O)N1CCCCc1ccccc1

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.96
▸ L3MBTL1 Q9Y468 1/20 0.96
▸ CASP3 P42574 1/20 0.67
▸ FAAH O00519 1/20 0.66
▸ MGLL Q99685 1/20 0.66
▸ CYP1B1 Q16678 1/20 0.65
▸ GSK3A P49840 1/20 0.64
▸ GSK3B P49841 1/20 0.64
▸ TSHR P16473 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ ACHE P22303 4/20 0.62
▸ ALDH1A1 P00352 1/20 0.61
▸ ALDH2 P05091 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ ALDH3A1 P30838 1/20 0.61

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
SCHEMBL9219707 0.98 TDP1 (1.00) TDP1L3MBTL1CASP3FAAHMGLL
SCHEMBL5093425 0.98 TDP1 (1.00) TDP1L3MBTL1CASP3FAAHMGLL
SCHEMBL8434811 0.98 TDP1 (1.00) TDP1L3MBTL1CASP3FAAHMGLL
SCHEMBL31035964 0.98 TDP1 (1.00) TDP1L3MBTL1CASP3FAAHMGLL
SCHEMBL29263641 0.98 TDP1 (1.00) TDP1L3MBTL1CASP3FAAHMGLL
SCHEMBL45050 0.94 TDP1 (0.86) TDP1L3MBTL1CASP3CYP1B1GSK3A
SCHEMBL30371663 0.94 TDP1 (0.86) TDP1L3MBTL1CASP3CYP1B1GSK3A
SCHEMBL9021226 0.89 TDP1 (0.82) TDP1L3MBTL1CASP3CYP1B1GSK3A
SCHEMBL13442856 0.88 CASP3 (0.81) TDP1L3MBTL1CASP3FAAHMGLL
SCHEMBL9220253 0.88 TDP1 (0.76) 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 53 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
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
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
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 4335/4885CASP3 2952/4885
US-20060052394-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885CASP3 2952/4885
US-20050080091-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885CASP3 2952/4885
US-20050234072-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885CASP3 2952/4885
US-20050228182-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885CASP3 2952/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 TDP1 3629/4885L3MBTL1 1373/4885CASP3 851/4885
US-20060052395-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885CASP3 2952/4885

“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.