SCHEMBL4058284

SCHEMBL4058284

Cc1ccc(-c2c(O)ncnc2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
UBE2N P61088 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 2/20 0.40
F9 P00740 3/20 0.39
F11 P03951 2/20 0.39
F7 P08709 2/20 0.39
CYP2C9 P11712 1/20 0.39
USP7 Q93009 1/20 0.38
ADK P55263 2/20 0.37
ALOX5 P09917 1/20 0.37
SENP1 Q9P0U3 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL19479287 0.78 KMT2A (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL1001064 0.77 ALOX15 (0.40) MEN1KMT2AALDH1A1MAPK1ADK
SCHEMBL4070584 0.77 KMO (0.42) MEN1KMT2AKDM4EUSP7ADK
SCHEMBL3164324 0.76 BCL2L1 (0.40) ALDH1A1HPGDMAPK1HSD17B10ALOX5
SCHEMBL7812578 0.74 ALOX5 (0.39) MEN1KMT2AALDH1A1KDM4EACHE
SCHEMBL4065247 0.73 ADK (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL5763304 0.72 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EUSP7
SCHEMBL7015277 0.71 RPS6KA3 (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL7818543 0.71 CYP1A2 (0.46) MEN1KMT2AMAPK1NPSR1ACHE
SCHEMBL21385864 0.71 ACHE (0.61) ALDH1A1HPGDTSHRHSD17B10ACHE

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 41 patents — showing the first 20. 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
CN-100537546-C Novel alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-09-09 CN disclosed
CN-100432070-C Novel sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-11-12 CN disclosed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US disclosed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US disclosed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US disclosed
EP-1465875-B1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 EP disclosed
EP-1465875-B1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 EP disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US disclosed
CN-1326841-C Arylalkane-sulfonamides having endothelin antagonist activity ACTELION PHARMACEUTICALS LTD (CH) 2007-07-18 CN disclosed
US-20030087920-A1 Butyne diol derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2003-05-08 US disclosed
WO-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed
EP-1244637-A1 BUTYNE DIOL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2002-10-02 EP disclosed
WO-2002053557-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-07-11 WO 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
WO-2001081335-A1 PYRIMIDINE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed
EP-1137642-A1 BIS-SULFONAMIDES Actelion Pharmaceuticals Ltd. (CH) 2001-10-04 EP disclosed
WO-2001046156-A1 BUTYNE DIOL DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-06-28 WO disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 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-20030087920-A1 Butyne diol derivatives BDKRB2, EDNRB, EDNRA MEN1 1644/4885KMT2A 4818/4885ALDH1A1 691/4885

“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.