SCHEMBL6764058

SCHEMBL6764058

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3nsnc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
MAPT P10636 3/20 0.71
KDM4E B2RXH2 1/20 0.71
PKM P14618 1/20 0.71
NFKBIA P25963 2/20 0.60
RELA Q04206 2/20 0.60
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 1/20 0.55
PTK2B Q14289 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
CCKBR P32239 1/20 0.50

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
SCHEMBL7185869 0.84 MAPT (1.00) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL5245834 0.83 MEN1 (0.77) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL5245777 0.83 MEN1 (0.77) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL6764894 0.83 KMT2A (0.77) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL6760865 0.83 MEN1 (0.77) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL5246316 0.80 MEN1 (0.49) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL5287286 0.80 MEN1 (0.71) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL8153875 0.80 MAPT (0.71) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL5242768 0.79 KDM4E (0.78) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL5246622 0.77 MEN1 (0.67) MEN1KMT2AMAPTKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists MERCK PATENT GMBH (DE) 2004-04-01 US claimed
EP-1357915-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO 4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2003-11-05 EP claimed
WO-2002062343-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO[4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2002-08-15 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
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
EP-1357915-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO 4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2003-11-05 EP disclosed
WO-2002062343-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO[4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2002-08-15 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

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-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR MEN1 3633/4885KMT2A 4594/4885MAPT 3851/4885

“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.