SCHEMBL916618

SCHEMBL916618

O=C1c2ccccc2C(=O)N1CCCCc1ccc(O)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
GPR84 Q9NQS5 1/20 0.58
NR1H3 Q13133 1/20 0.58
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP1B1 Q16678 1/20 0.52
CASP3 P42574 1/20 0.51

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
SCHEMBL30601923 0.98 TDP1 (0.77) TDP1L3MBTL1GPR84NR1H3TSHR
SCHEMBL26626715 0.98 TDP1 (0.77) TDP1L3MBTL1GPR84NR1H3TSHR
SCHEMBL14092273 0.95 TDP1 (0.66) TDP1L3MBTL1GPR84NR1H3TSHR
SCHEMBL1065287 0.88 CASP3 (0.65) TDP1L3MBTL1NR1H3TSHRMAPK1
SCHEMBL916601 0.86 TDP1 (0.96) TDP1L3MBTL1TSHRMAPK1CYP1B1
SCHEMBL15955998 0.86 TDP1 (0.67) TDP1L3MBTL1GPR84TSHRMAPK1
SCHEMBL9220253 0.85 TDP1 (0.76) TDP1L3MBTL1CYP1B1CASP3
SCHEMBL8434811 0.85 TDP1 (1.00) TDP1L3MBTL1CYP1B1CASP3
SCHEMBL31035964 0.85 TDP1 (1.00) TDP1L3MBTL1CYP1B1CASP3
SCHEMBL29263641 0.85 TDP1 (1.00) TDP1L3MBTL1CYP1B1CASP3

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 90 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-8022210-B2 3-Aminopyrazine-2-carbonylguanidine derivatives; (4-{4-[N'-(3,5-Diamino-6-chloropyrazine-2-carbonyl)guanidino]butyl}phenoxy)acetic acid 2-piperidin-1-yl-ethyl ester; hydration of mucous membranes; respiratory system and gastrointestinal disorders; skin, eye and vaginal dryness; hypotensive agents; asthma PARION SCIENCES, INC. (US) 2011-09-20 US disclosed
US-8022210-B2 3-Aminopyrazine-2-carbonylguanidine derivatives; (4-{4-[N'-(3,5-Diamino-6-chloropyrazine-2-carbonyl)guanidino]butyl}phenoxy)acetic acid 2-piperidin-1-yl-ethyl ester; hydration of mucous membranes; respiratory system and gastrointestinal disorders; skin, eye and vaginal dryness; hypotensive agents; asthma PARION SCIENCES, INC. (US) 2011-09-20 US disclosed
US-8022210-B2 3-Aminopyrazine-2-carbonylguanidine derivatives; (4-{4-[N'-(3,5-Diamino-6-chloropyrazine-2-carbonyl)guanidino]butyl}phenoxy)acetic acid 2-piperidin-1-yl-ethyl ester; hydration of mucous membranes; respiratory system and gastrointestinal disorders; skin, eye and vaginal dryness; hypotensive agents; asthma PARION SCIENCES, INC. (US) 2011-09-20 US disclosed
US-20060052395-A1 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2006-03-09 US disclosed
US-20060040954-A1 Soluble amide & ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2006-02-23 US disclosed
EP-1599096-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2005-11-30 EP 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
WO-2004073629-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2004-09-02 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 (6 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-20050080091-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885GPR84 2794/4885
US-20050234072-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885GPR84 2794/4885
US-20060040954-A1 Soluble amide & ester pyrazinoylguanidine sodium channel blockers SCN2A, CACNA1B, HCN4 TDP1 4353/4885L3MBTL1 4663/4885GPR84 651/4885
US-20050228182-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885GPR84 2794/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 TDP1 3629/4885L3MBTL1 1373/4885GPR84 3359/4885
US-20060052395-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 TDP1 4325/4885L3MBTL1 4335/4885GPR84 2794/4885

“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.