SCHEMBL1000701

SCHEMBL1000701

O=S(=O)(NCCCO)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.83
EDNRB P24530 19/20 0.83
SLC6A2 P23975 1/20 0.79
TSPO P30536 1/20 0.79
DRD3 P35462 1/20 0.79

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
SCHEMBL14380505 0.91 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
Macitentan SCHEMBL1445625 0.89 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
Macitentan SCHEMBL29378853 0.89 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL1000608 0.88 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL8354846 0.88 EDNRA (0.85) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL17582648 0.86 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL999054 0.85 EDNRB (0.77) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL9891388 0.84 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL3650930 0.84 EDNRA (0.80) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380506 0.84 EDNRA (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833821-B1 SULFAMIDES AS ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-03-30 EP disclosed
US-7868012-B2 Sulfamides as endothelin receptor antagonists for the treatment of cardiovascular diseases ACTELION PHARMACEUTICALS, LTD. (CH) 2011-01-11 US disclosed
US-7868012-B2 Sulfamides as endothelin receptor antagonists for the treatment of cardiovascular diseases ACTELION PHARMACEUTICALS, LTD. (CH) 2011-01-11 US disclosed
US-7868012-B2 Sulfamides as endothelin receptor antagonists for the treatment of cardiovascular diseases ACTELION PHARMACEUTICALS, LTD. (CH) 2011-01-11 US disclosed
US-20080004298-A1 Sulfamides as Endothelin Receptor Antagonists for the Treatment of Cardiovascular Diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-03 US disclosed
US-20080004298-A1 Sulfamides as Endothelin Receptor Antagonists for the Treatment of Cardiovascular Diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-03 US disclosed
US-20080004298-A1 Sulfamides as Endothelin Receptor Antagonists for the Treatment of Cardiovascular Diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-03 US 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-20080004298-A1 Sulfamides as Endothelin Receptor Antagonists for the Treatment of Cardiovascular Diseases EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 2/4885SLC6A2 1383/4885

“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.