SCHEMBL4061451

SCHEMBL4061451

COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 19/20 0.58
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43

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
SCHEMBL2640202 0.87 EDNRA (0.52) DHPSEDNRBEDNRA
SCHEMBL4071996 0.86 DHPS (0.67) DHPSEDNRBEDNRA
SCHEMBL4062097 0.86 DHPS (0.51) DHPSEDNRBEDNRA
SCHEMBL6585958 0.85 DHPS (0.55) DHPS
SCHEMBL4061454 0.83 DHPS (0.83) DHPS
SCHEMBL5036558 0.82 DHPS (0.48) DHPS
SCHEMBL7698526 0.82 DHPS (0.46) DHPSEDNRBEDNRA
SCHEMBL4066782 0.82 DHPS (0.66) DHPSEDNRBEDNRA
SCHEMBL7415372 0.81 DHPS (0.50) DHPS
SCHEMBL6179187 0.79 DHPS (0.44) DHPS

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 12 patents. 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 disclosed
EP-1185525-B1 4-HETEROCYCLYLSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 US disclosed
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
WO-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed
US-20020137933-A1 Heterocyclic sulfonamides BREU VOLKER (DE) 2002-09-26 US disclosed
US-6417360-B1 ENDOTHELIN RECEPTOR INHIBITORS; CARDIOVASCULAR DISORDERS, HEART FAILURE HOFFMANN-LA ROCHE INC. 2002-07-09 US disclosed
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 WO disclosed
EP-1185525-A1 4-HETEROCYCLYLSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-13 EP disclosed
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed
WO-2000052007-A1 4-HETEROCYCLYSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-08 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 (2 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-20020137933-A1 Heterocyclic sulfonamides ECE1, EDNRA, EDNRB DHPS 557/4885EDNRB 3/4885EDNRA 2/4885
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 DHPS 1235/4885EDNRB 2/4885EDNRA 1/4885

“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.