SCHEMBL5762269

SCHEMBL5762269

COc1ccc(-c2c(N)ncnc2OCCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.48
TEK Q02763 5/20 0.48
MAP4K4 O95819 1/20 0.46
ADK P55263 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
UBE2N P61088 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HEXA P06865 1/20 0.43
HEXB P07686 1/20 0.43
SRC P12931 3/20 0.42
ABL1 P00519 2/20 0.42
EGFR P00533 2/20 0.42
ABL2 P42684 2/20 0.42
ADORA1 P30542 1/20 0.42
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL4069241 0.85 EDNRA (0.49) KDRTEKADKKDM4EALDH1A1
SCHEMBL5764923 0.83 MAPT (0.43) DGAT1
SCHEMBL3641648 0.82 EDNRA (0.44) KDRTEKADKKITDGAT1
SCHEMBL4062084 0.82 EDNRB (0.56) KDRTEKADKSRCABL1
SCHEMBL6293445 0.82 EDNRB (0.46) KDRMAP4K4ADKALDH1A1SRC
SCHEMBL4060076 0.80 RPS6KA3 (0.45) KDRTEKADKKDM4EALDH1A1
SCHEMBL5763592 0.79 RPS6KA3 (0.44) KDRTEKADKKDM4EALDH1A1
SCHEMBL4067214 0.79 ALDH1A1 (0.40) KDRMAP4K4ALDH1A1SRCABL1
SCHEMBL5101573 0.77 EDNRB (0.52)
SCHEMBL4058891 0.76 EDNRB (0.47) TEKADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309564-B1 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-14 EP disclosed
US-6951856-B2 Arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2005-10-04 US disclosed
US-20030220359-A1 Novel arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2003-11-27 US disclosed
EP-1309564-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-05-14 EP disclosed
WO-2002008200-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-01-31 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-20030220359-A1 Novel arylethene-sulfonamides EDNRA, ECE2, ECE1 KDR 70/4885TEK 193/4885MAP4K4 1703/4885

“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.