SCHEMBL5765225

SCHEMBL5765225

Cc1ccc(-c2c(N)nc(-c3cnccn3)nc2OCCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHPS P49366 9/20 0.47
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
USP7 Q93009 1/20 0.36
HSD17B10 Q99714 1/20 0.35
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL5765220 0.86 DHPS (0.40) DHPSCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL4064364 0.83 DHPS (0.56) DHPSHEXAHEXB
SCHEMBL4060142 0.82 DHPS (0.54) DHPSADORA1USP7HEXAHEXB
SCHEMBL4060945 0.74 DHPS (0.71) DHPS
SCHEMBL7700003 0.74 DHPS (0.46) DHPSADORA1
SCHEMBL7700545 0.74 DHPS (0.42) DHPS
SCHEMBL14380548 0.71 NPC1 (0.47) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL4069241 0.71 EDNRA (0.49) DHPSKDM4EADORA1USP7HSD17B10
SCHEMBL5632895 0.70 EDNRB (0.41)
SCHEMBL4064360 0.69 DHPS (0.47) 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 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 DHPS 424/4885CYP2D6 246/4885CYP19A1 418/4885

“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.