SCHEMBL4035141

SCHEMBL4035141

CN(Cc1ccc(C2=NCCN2C)cc1)C(=O)COCCN(C)S(=O)(=O)c1ccccc1C#N

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.71
KDM2B Q8NHM5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SLC6A4 P31645 1/20 0.33
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5118486 0.91 BDKRB1 (0.69) BDKRB1KDM2BALDH1A1HTTRAB9A
SCHEMBL4032499 0.86 BDKRB1 (0.71) BDKRB1SLC6A4
SCHEMBL4035136 0.85 BDKRB1 (0.52) BDKRB1KDM2B
SCHEMBL4036007 0.85 BDKRB1 (0.71) BDKRB1
SCHEMBL4033440 0.83 BDKRB1 (1.00) BDKRB1ALDH1A1HTT
SCHEMBL4026986 0.81 BDKRB1 (0.71) BDKRB1
SCHEMBL4029737 0.80 BDKRB1 (0.72) BDKRB1ALDH1A1HTTSMN1; SMN2
SCHEMBL5111217 0.78 BDKRB1 (0.60) BDKRB1ALDH1A1HTT
SCHEMBL5125079 0.77 BDKRB1 (0.52) BDKRB1SMN1; SMN2
SCHEMBL5110325 0.77 BDKRB1 (0.69) BDKRB1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US claimed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US claimed
EP-1521744-B1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS FOURNIER LAB SA (FR) 2009-04-01 EP disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US disclosed
EP-1521744-A1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS LABORATOIRES FOURNIER S.A. (FR) 2005-04-13 EP disclosed
WO-2003106428-A1 NOVEL ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS THERAPEUTIC AGENTS LABORATOIRES FOURNIER SA (FR) 2003-12-24 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 BDKRB1 1217/4885KDM2B 2970/4885ALDH1A1 73/4885

“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.