SCHEMBL5125541

SCHEMBL5125541

O=C(C=CCNCS(=O)(=O)c1ccccc1[N+](=O)[O-])CNCc1ccc(C2=NCCN2C(=O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 3/20 0.33
FLT3 P36888 1/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.31
HTT P42858 3/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 1/20 0.31
THRB P10828 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL5125708 0.91 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL5114209 0.88 GRM4 (0.34) ALDH1A1LMNAKMT2AEPHX2
SCHEMBL5125535 0.86 MEN1 (0.36) ALDH1A1SMN1; SMN2HTTKMT2ATHRB
SCHEMBL5114346 0.85 KDM2B (0.31) KMT2A
SCHEMBL5111192 0.83 MAPT (0.31) KMT2AMAPT
SCHEMBL5114365 0.83 LMNA (0.34) LMNAKDM4EKMT2ATHRB
SCHEMBL5124610 0.82 KMT2A (0.30) SMN1; SMN2POLBKMT2ATHRB
SCHEMBL5114110 0.81 KMT2A (0.34) ALDH1A1KMT2A
SCHEMBL5124195 0.80 MEN1 (0.36) KMT2AEPHX2
SCHEMBL5118936 0.80 LMNA (0.41) LMNAKMT2A

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 ALDH1A1 73/4885SMN1; SMN2 3272/4885LMNA 4632/4885

“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.