SCHEMBL6314447

SCHEMBL6314447

CN(C)c1cccc2c(S(=O)(=O)Nc3cccc4nsnc34)cccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 12/20 0.65
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ HSD17B10 Q99714 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ CTDSP1 Q9GZU7 2/20 0.54
▸ CASP6 P55212 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ PTK2B Q14289 1/20 0.54
▸ TSHR P16473 2/20 0.53
▸ NSD2 O96028 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL6313337 0.87 EDNRA (0.64) EDNRAKDM4EHSD17B10TSHRNSD2
SCHEMBL6314270 0.83 EDNRA (0.71) EDNRAMEN1KMT2AKDM4EHSD17B10
SCHEMBL8316284 0.81 ALDH1A1 (0.59) EDNRAMEN1KMT2AMAPTKDM4E
SCHEMBL6313638 0.79 EDNRA (1.00) EDNRAKDM4EHSD17B10TSHRNSD2
SCHEMBL4201921 0.78 EDNRA (0.98) EDNRAKDM4EHSD17B10TSHRNSD2
SCHEMBL8543344 0.78 EDNRA (0.73) EDNRAKDM4EHSD17B10TSHRNSD2
SCHEMBL13485942 0.78 EDNRA (0.67) EDNRAMEN1KMT2AKDM4EHSD17B10
SCHEMBL8536257 0.77 EDNRA (0.66) EDNRAKDM4EHSD17B10TSHRNSD2
SCHEMBL10714752 0.75 EDNRA (0.60) EDNRAKDM4EHSD17B10TSHRNSD2
SCHEMBL4936626 0.73 EDNRA (0.57) EDNRAKDM4EHSD17B10TSHRNSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 — — US claimed
EP-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 — — EP claimed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 — — WO claimed
EP-0733626-B1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GMBH (DE) 1999-01-13 — — EP claimed
EP-0733626-A1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GmbH (DE) 1996-09-25 — — EP claimed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 — — US disclosed
EP-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 — — EP disclosed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 — — WO disclosed
EP-0733626-B1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GMBH (DE) 1999-01-13 — — EP disclosed
US-5726194-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 — — US disclosed
EP-0733626-A1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GmbH (DE) 1996-09-25 — — EP 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-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases EDNRA, EDNRB, ECE1 EDNRA 1/4885MEN1 465/4885KMT2A 3059/4885

“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.

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