SCHEMBL4062097

SCHEMBL4062097

COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 15/20 0.51
EDNRA P25101 5/20 0.47
EDNRB P24530 3/20 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
SCHEMBL5097958 0.90 KDM4E (0.42) DHPSEDNRAEDNRB
SCHEMBL4061451 0.86 DHPS (0.58) DHPSEDNRAEDNRB
SCHEMBL29770374 0.86 DHPS (0.58) DHPSEDNRAEDNRB
SCHEMBL618135 0.86 DHPS (0.58) DHPSEDNRAEDNRB
SCHEMBL7698526 0.84 DHPS (0.46) DHPSEDNRAEDNRB
SCHEMBL4064097 0.82 DHPS (0.74) DHPS
SCHEMBL1257596 0.82 DHPS (0.52) DHPSEDNRAEDNRB
SCHEMBL4061140 0.81 EDNRA (0.67) DHPSEDNRAEDNRB
SCHEMBL7795451 0.81 DHPS (0.53) DHPSEDNRAEDNRB
SCHEMBL6585958 0.81 DHPS (0.55) 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 10 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
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US disclosed
US-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 US disclosed
US-20050085639-A1 Novel alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-04-21 US disclosed
EP-1465875-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2004-10-13 EP disclosed
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US disclosed
WO-2003055863-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-07-10 WO 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
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 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-20050085639-A1 Novel alkansulfonamides as endothelin antagonists EDNRA, EDNRB, ECE1 DHPS 2156/4885EDNRA 1/4885EDNRB 2/4885
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 DHPS 1235/4885EDNRA 1/4885EDNRB 2/4885

“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.