SCHEMBL4066610

SCHEMBL4066610

COc1cccc(Oc2c(N)ncnc2OCCO)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.56
EDNRA P25101 2/20 0.56
DHPS P49366 7/20 0.54
MAP4K4 O95819 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BRCA1 P38398 1/20 0.43
HBB P68871 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SRC P12931 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LIMK1 P53667 1/20 0.42

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 0.81 EDNRB (0.62) EDNRBEDNRAKDM4EMEN1ALDH1A1
SCHEMBL8322606 0.81 EDNRB (0.44) EDNRBEDNRA
SCHEMBL4426889 0.81 EDNRA (0.49) EDNRBEDNRADHPS
SCHEMBL5107783 0.79 EDNRB (0.64) EDNRBEDNRAKDM4EMEN1ALDH1A1
SCHEMBL4060249 0.79 DHPS (0.66) EDNRBEDNRADHPS
SCHEMBL7699473 0.77 ALDH1A1 (0.48) DHPSMAP4K4KDM4EMEN1ALDH1A1
SCHEMBL4062185 0.74 DHPS (0.51) EDNRADHPSALDH1A1HSD17B10SRC
SCHEMBL3267175 0.74 TSHR (0.62) MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL5762269 0.73 KDR (0.48) MAP4K4KDM4EALDH1A1KMT2ASRC
SCHEMBL2678965 0.73 EDNRA (1.00) 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 6 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-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
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 (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-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 EDNRB 2/4885EDNRA 1/4885DHPS 1235/4885

“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.