SCHEMBL4060076

SCHEMBL4060076

Cc1ccc(-c2c(N)ncnc2OCCCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 7/20 0.45
FYN P06241 2/20 0.45
VCP P55072 2/20 0.45
EDNRA P25101 2/20 0.45
YES1 P07947 1/20 0.45
RPS6KB1 P23443 1/20 0.45
EPHA2 P29317 1/20 0.45
USP7 Q93009 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
UBE2N P61088 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADK P55263 2/20 0.41
DHPS P49366 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
SCHEMBL5763592 0.96 RPS6KA3 (0.44) RPS6KA3FYNVCPEDNRAYES1
SCHEMBL4069241 0.94 EDNRA (0.49) RPS6KA3FYNVCPEDNRAYES1
SCHEMBL4060847 0.81 EDNRB (0.45) EDNRAKDM4EMEN1ALDH1A1HPGD
SCHEMBL5764923 0.80 MAPT (0.43) EDNRAUSP7EDNRBLMNAMAPT
SCHEMBL5762269 0.80 KDR (0.48) KDM4EALDH1A1HPGDUBE2NKMT2A
SCHEMBL3641648 0.79 EDNRA (0.44) EDNRAADKDHPSEDNRBKIT
SCHEMBL4062084 0.79 EDNRB (0.56) EDNRARPS6KB1USP7ADKDHPS
SCHEMBL6293445 0.79 EDNRB (0.46) RPS6KA3FYNEDNRARPS6KB1USP7
SCHEMBL4067214 0.79 ALDH1A1 (0.40) RPS6KA3FYNEDNRARPS6KB1EPHA2
SCHEMBL4064066 0.79 DRD2 (0.48) EDNRAALDH1A1ADKEDNRBLMNA

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-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 US disclosed
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-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US disclosed
US-20030220359-A1 Novel arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2003-11-27 US disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
EP-1309564-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-05-14 EP disclosed
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 WO 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 (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-20030220359-A1 Novel arylethene-sulfonamides EDNRA, ECE2, ECE1 RPS6KA3 3095/4885FYN 1485/4885VCP 2068/4885
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 RPS6KA3 4077/4885FYN 1654/4885VCP 2156/4885

“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.