SCHEMBL4434185

SCHEMBL4434185

COc1ccc(Cl)c(Oc2c(N)ncnc2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.42
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
TEK Q02763 1/20 0.40
SRC P12931 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
CLK1 P49759 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP4K4 O95819 2/20 0.39
ERBB2 P04626 1/20 0.39
PDE5A O76074 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL4435549 0.90 EDNRB (0.44) EDNRBEDNRASRCALDH1A1LMNA
SCHEMBL7009624 0.84 EDNRB (0.41) EDNRBEDNRASRCALDH1A1LMNA
Alcohol SCHEMBL8637347 0.83 EDNRB (0.40) DHPSEDNRBEDNRATEKSRC
SCHEMBL4426889 0.81 EDNRA (0.49) DHPSEDNRBEDNRATEK
SCHEMBL7699473 0.80 ALDH1A1 (0.48) DHPSSRCALDH1A1KDM4ESMN1; SMN2
SCHEMBL4427054 0.80 EDNRB (0.43) EDNRBEDNRASRCALDH1A1LMNA
SCHEMBL7297617 0.77 DHPS (0.58) DHPSALDH1A1PDE5A
SCHEMBL7850652 0.76 EDNRA (0.47) DHPSEDNRBEDNRATEKSRC
SCHEMBL4432925 0.76 EDNRA (0.65) EDNRBEDNRA
SCHEMBL8325304 0.75 ALDH1A1 (0.42) EDNRBEDNRASRCALDH1A1LMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569914-B1 PYRIMIDINE-SULFAMIDES AND THEIR USE AS ENDOTHELIAN RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2009-02-18 EP disclosed
US-7452896-B2 Pyrimidine-sulfamides and their use as endothelian receptor antagonist ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-18 US disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US disclosed
US-20070167472-A1 2-Methoxy-ethanesulfamic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-yl]-amide; vasoconstrictor, mediator of cardiac, renal, endocrine functions; neurotransmitter release, activation of inflammatory cells, fibrosis, cell proliferation and differentiation ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-19 US disclosed
EP-1693372-A1 Novel Sulfamides and their use as endothelin receptor antagonists Actelion Pharmaceuticals Ltd. (CH) 2006-08-23 EP disclosed
US-7094781-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-22 US disclosed
US-20060178365-A1 Optionally oxidized 6-(2-(5-methylthio-2-pyrimidinyloxy)ethoxy)-2-phenylpyrimidin-4-yl-substituted sulfamides BOLLI MARTIN 2006-08-10 US disclosed
EP-1345920-B1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-12 EP disclosed
EP-1569914-A1 PYRIMIDINE-SULFAMIDES AND THEIR USE AS ENDOTHELIAN RECEPTOR ANTAGONIST Actelion Pharmaceuticals Ltd. (CH) 2005-09-07 EP disclosed
WO-2004050640-A1 PYRIMIDINE-SULFAMIDES AND THEIR USE AS ENDOTHELIAN RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2004-06-17 WO disclosed
EP-1345920-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-09-24 EP disclosed
WO-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed
WO-2002053557-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-07-11 WO disclosed
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP disclosed
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
US-5837708-A CARDIOVASCULAR DISORDERS OF HYPERTENSION, ISCHEMIA, ANGINA PECTORIS AND VASOSPASMS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
WO-1996016963-A1 SULFONAMIDES AND THEIR USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-06 WO disclosed
EP-0713875-A1 Sulfonamides F. Hoffmann-La Roche AG (CH) 1996-05-29 EP disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 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 (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-20060178365-A1 Optionally oxidized 6-(2-(5-methylthio-2-pyrimidinyloxy)ethoxy)-2-phenylpyrimidin-4-yl-substituted sulfamides EDNRA, EDNRB, ECE2 DHPS 273/4885EDNRB 2/4885EDNRA 1/4885
US-20070167472-A1 2-Methoxy-ethanesulfamic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-yl]-amide; vasoconstrictor, mediator of cardiac, renal, endocrine functions; neurotransmitter release, activation of inflammatory cells, fibrosis, cell proliferation and differentiation EDNRA, EDNRB, AGTR2 DHPS 2786/4885EDNRB 2/4885EDNRA 1/4885

“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.