SCHEMBL5107783

SCHEMBL5107783

COc1cccc(Oc2c(N)ncnc2OCCOc2ncc(SC)cn2)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.64
EDNRA P25101 6/20 0.64
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BRCA1 P38398 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5764472 0.87 EDNRB (0.62) EDNRBEDNRAKDM4EMEN1ALDH1A1
SCHEMBL5097996 0.84 EDNRB (0.56) EDNRBEDNRA
SCHEMBL4066610 0.79 EDNRB (0.56) EDNRBEDNRAKDM4EMEN1ALDH1A1
SCHEMBL8322606 0.76 EDNRB (0.44) EDNRBEDNRA
SCHEMBL7537495 0.73 EDNRB (0.47) EDNRBEDNRA
SCHEMBL5107782 0.72 EDNRB (0.46) EDNRBEDNRAKDM4E
SCHEMBL4432925 0.71 EDNRA (0.65) EDNRBEDNRA
SCHEMBL7699473 0.70 ALDH1A1 (0.48) KDM4EMEN1ALDH1A1BRCA1HBB
SCHEMBL5095034 0.70 EDNRB (0.55) EDNRBEDNRA
SCHEMBL4424555 0.69 EDNRB (0.64) EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US claimed
US-20050085639-A1 Novel alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-04-21 US claimed
EP-1465875-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2004-10-13 EP claimed
WO-2003055863-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-07-10 WO claimed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 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
WO-2003055863-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-07-10 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-20050085639-A1 Novel alkansulfonamides as endothelin antagonists EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885KDM4E 916/4885

“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.