SCHEMBL5763670

SCHEMBL5763670

Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.56
EDNRB P24530 16/20 0.56
SLC6A2 P23975 1/20 0.46
TSPO P30536 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL4065428 0.87 EDNRA (0.59) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL1386224 0.87 EDNRB (0.56) EDNRAEDNRB
SCHEMBL4426215 0.80 EDNRB (0.59) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL4424555 0.79 EDNRB (0.64) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL6293445 0.79 EDNRB (0.46) EDNRAEDNRB
SCHEMBL17012334 0.77 EDNRA (0.63) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL17003692 0.76 EDNRA (0.62) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL18327364 0.76 EDNRA (0.63) EDNRAEDNRBSLC6A2TSPODRD3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309564-B1 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-14 EP claimed
US-6951856-B2 Arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2005-10-04 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-1309564-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-05-14 EP claimed
WO-2002008200-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-01-31 WO claimed
US-6951856-B2 Arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2005-10-04 US disclosed
US-20030220359-A1 Novel arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2003-11-27 US disclosed
EP-1309564-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-05-14 EP disclosed
WO-2002008200-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-01-31 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 (1 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

“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.