SCHEMBL5124758

SCHEMBL5124758

CN(Cc1ccc(C2=NCCN2C(=O)O)cc1)C(=O)COCCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 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
SCHEMBL5111903 0.88 CHRNB2 (0.42) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL5115000 0.87 BCHE (0.41) RAB9ANPC1KMT2A
SCHEMBL5393153 0.84 LTB4R (0.42) SMN1; SMN2KDM4EALDH1A1MAPTMEN1
SCHEMBL5117819 0.81 BDKRB1 (0.39) BDKRB1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL5111217 0.79 BDKRB1 (0.60) BDKRB1ALDH1A1
SCHEMBL12162029 0.79 GPR119 (0.39) SMN1; SMN2MEN1KMT2A
SCHEMBL5125491 0.78 BDKRB1 (0.68) BDKRB1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL5115130 0.78 BDKRB1 (0.68) BDKRB1ALDH1A1
SCHEMBL5125079 0.78 BDKRB1 (0.52) BDKRB1SMN1; SMN2KDM4E
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 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 BDKRB1 1217/4885SMN1; SMN2 3272/4885RAB9A 822/4885

“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.