SCHEMBL5125535

SCHEMBL5125535

CN(Cc1ccc(C2=NCCN2C(=O)O)cc1)C(=O)/C=C/CNCS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 2/20 0.34
BDKRB1 P46663 1/20 0.34
THRA P10827 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TACR1 P25103 4/20 0.33
SNCA P37840 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
PTPN1 P18031 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5125543 1.00 MEN1 (0.36) MEN1KMT2ASMN1; SMN2THRBBDKRB1
SCHEMBL5125699 0.91 ALDH1A1 (0.37) MEN1KMT2ASMN1; SMN2THRBBDKRB1
SCHEMBL5125713 0.91 ALDH1A1 (0.37) MEN1KMT2ASMN1; SMN2THRBBDKRB1
SCHEMBL5114204 0.88 BDKRB1 (0.40) MEN1KMT2ABDKRB1ALDH1A1HTT
SCHEMBL5114211 0.88 BDKRB1 (0.40) MEN1KMT2ABDKRB1ALDH1A1HTT
SCHEMBL5125541 0.86 ALDH1A1 (0.34) KMT2ASMN1; SMN2THRBALDH1A1HTT
SCHEMBL5114344 0.86 BDKRB1 (0.39) MEN1KMT2ABDKRB1TACR1
SCHEMBL5114351 0.86 BDKRB1 (0.39) MEN1KMT2ABDKRB1TACR1
SCHEMBL5125531 0.85 KMT2A (0.46) MEN1KMT2ASMN1; SMN2THRBBDKRB1
SCHEMBL5117604 0.85 BDKRB1 (0.40) BDKRB1

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 2 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 disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US 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 MEN1 4618/4885KMT2A 3755/4885SMN1; SMN2 3272/4885

“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.