SCHEMBL4065428

SCHEMBL4065428

Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.59
EDNRB P24530 15/20 0.57
SLC6A2 P23975 1/20 0.47
TSPO P30536 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL1457182 0.91 EDNRA (0.64) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL30835141 0.91 EDNRA (0.64) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL1386224 0.88 EDNRB (0.56) EDNRAEDNRB
SCHEMBL5763670 0.87 EDNRA (0.56) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL4058891 0.85 EDNRB (0.47) EDNRAEDNRB
SCHEMBL5631511 0.84 EDNRA (0.64) EDNRAEDNRB
SCHEMBL5764645 0.82 EDNRB (0.54) EDNRAEDNRB
SCHEMBL17003696 0.81 EDNRA (0.61) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL4426215 0.81 EDNRB (0.59) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL4062084 0.80 EDNRB (0.56) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 EP claimed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US claimed
EP-1465875-B1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 EP claimed
EP-1693372-A1 Novel Sulfamides and their use as endothelin receptor antagonists Actelion Pharmaceuticals Ltd. (CH) 2006-08-23 EP claimed
US-7094781-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-22 US claimed
US-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 US claimed
EP-1309564-B1 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-14 EP claimed
EP-1345920-B1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-12 EP claimed
US-6951856-B2 Arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2005-10-04 US claimed
US-20050085639-A1 Novel alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-04-21 US claimed
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 US claimed
JP-2004504385-A 2004-02-12 JP claimed
US-20030220359-A1 Novel arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2003-11-27 US claimed
EP-1345920-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-09-24 EP claimed
WO-2003055863-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-07-10 WO claimed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP claimed
EP-1309564-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-05-14 EP claimed
WO-2002053557-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-07-11 WO claimed
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 WO claimed
WO-2002008200-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-01-31 WO claimed

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-20030220359-A1 Novel arylethene-sulfonamides EDNRA, ECE2, ECE1 EDNRA 1/4885EDNRB 4/4885SLC6A2 1570/4885
US-20050085639-A1 Novel alkansulfonamides as endothelin antagonists EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 2/4885SLC6A2 586/4885
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 2/4885SLC6A2 960/4885

“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.