SCHEMBL6419332

SCHEMBL6419332

N=C1NC(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)S1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.79
XDH P47989 3/20 0.74
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
POLB P06746 3/20 0.61
MRE11 P49959 1/20 0.59
ALDH1A1 P00352 5/20 0.57
MAPT P10636 5/20 0.57
PKM P14618 1/20 0.57
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
DYRK1A Q13627 3/20 0.52
DYRK1B Q9Y463 3/20 0.52
CLK1 P49759 2/20 0.52
CSNK1E P49674 1/20 0.52
DYRK2 Q92630 1/20 0.52
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51

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
SCHEMBL6419329 1.00 GSK3B (0.79) GSK3BXDHKMT2AMEN1POLB
SCHEMBL6413936 0.90 XDH (0.70) GSK3BXDHKMT2AMEN1POLB
SCHEMBL6413941 0.90 XDH (0.70) GSK3BXDHKMT2AMEN1POLB
SCHEMBL9831869 0.88 GSK3B (1.00) GSK3BXDHKMT2AMEN1POLB
SCHEMBL9831864 0.88 GSK3B (1.00) GSK3BXDHKMT2AMEN1POLB
SCHEMBL9015992 0.85 XDH (0.63) GSK3BXDHKMT2AMEN1POLB
SCHEMBL9015993 0.85 XDH (0.63) GSK3BXDHKMT2AMEN1POLB
SCHEMBL6418929 0.83 MEN1 (0.71) GSK3BXDHKMT2AMEN1POLB
SCHEMBL13846860 0.83 MEN1 (0.71) GSK3BXDHKMT2AMEN1POLB
SCHEMBL6418925 0.83 MEN1 (0.71) GSK3BXDHKMT2AMEN1POLB

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-20050019825-A9 Common ligand mimics: pseudothiohydantoins TRIAD THERAPEUTICS, INC. 2005-01-27 US disclosed
US-20040009527-A1 Common ligand mimics: pseudothiohydantoins DONG QING (US) 2004-01-15 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 (2 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-20050019825-A9 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 GSK3B 3537/4885XDH 2240/4885KMT2A 3032/4885
US-20040009527-A1 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 GSK3B 3537/4885XDH 2240/4885KMT2A 3032/4885

“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.