Sugi Predict

Sugi Predict / Compounds / SCHEMBL4069494

SCHEMBL4069494

SCHEMBL4069494

O=C(O)CNC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.66
▸ CA2 P00918 1/20 0.66
▸ HPGD P15428 3/20 0.65
▸ POLB P06746 1/20 0.65
▸ HTT P42858 1/20 0.65
▸ EPHX2 P34913 1/20 0.62
▸ GPR139 Q6DWJ6 1/20 0.58
▸ HDAC4 P56524 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ SLC22A6 Q4U2R8 1/20 0.56
▸ SLC22A8 Q8TCC7 1/20 0.56

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
SCHEMBL29195064 0.86 CA2 (0.62) CA1CA2HPGDPOLBHTT
SCHEMBL10029217 0.85 CA1 (0.61) CA1CA2HPGDPOLBHTT
SCHEMBL5631051 0.81 HPGD (0.68) HPGDPOLBHTTEPHX2GPR139
SCHEMBL15968774 0.81 PDE4A (0.60) CA1CA2HPGDPOLBKDM4E
SCHEMBL11107537 0.80 KDM4E (0.80) CA1CA2POLBHDAC6KDM4E
SCHEMBL4146849 0.80 HPGD (0.68) HPGDPOLBHTTEPHX2GPR139
SCHEMBL4883822 0.80 HPGD (0.67) HPGDPOLBHTTEPHX2GPR139
4-Chlorohippuric Acid SCHEMBL11524882 0.79 KDM4E (0.67) CA1CA2GPR139KDM4EMAPT
4-Chlorohippuric Acid SCHEMBL4002486 0.79 KDM4E (0.67) CA1CA2GPR139KDM4EMAPT
Methylene Chloride SCHEMBL6847367 0.79 HPGD (0.64) HPGDPOLBHTTEPHX2GPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217708-B2 Cardiovascular disorders ASTRAZENECA AB (SE) 2007-05-15 — — US claimed
EP-1389213-B1 3,7-DIAZABICYCLO 3.3.1| FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2006-04-12 — — EP claimed
EP-1550663-A1 New crystalline forms of antiarrhythmic compounds Astra Zeneca AB (SE) 2005-07-06 — — EP claimed
US-20040143000-A1 3,7-diazabicyclo [3.3.1] formulations as antiarhythmic compounds ASTRAZENECA AB (SE) 2004-07-22 — — US claimed
EP-1389213-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 — — EP claimed
WO-2002083688-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 — — WO claimed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 — — US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 — — US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 — — US disclosed
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 — — EP disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 — — US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 — — US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 — — US disclosed
US-20040132798-A1 3.7-Diazybicyclo [3.3.1] formulations as antiarrhythmic compounds ASTRAZENECA AB (SE) 2004-07-08 — — US disclosed
EP-1389213-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 — — EP disclosed
EP-1389211-A1 3,7-DIAZYBICYCLO 3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 — — EP disclosed
WO-2002083687-A1 3,7-DIAZYBICYCLO [3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 — — WO disclosed
WO-2002083688-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 — — WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — 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 (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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 CA1 4706/4885CA2 4436/4885HPGD 65/4885
US-20040132798-A1 3.7-Diazybicyclo [3.3.1] formulations as antiarrhythmic compounds HCN3, CACNB3, TNNI3 CA1 2695/4885CA2 424/4885HPGD 1834/4885
US-20040143000-A1 3,7-diazabicyclo [3.3.1] formulations as antiarhythmic compounds SCN3A, KCNH1, CACNA1G CA1 2486/4885CA2 592/4885HPGD 2903/4885

“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.