SCHEMBL6419340

SCHEMBL6419340

N=C1NC(=O)/C(=C/c2cc(O)ccc2O)S1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRE11 P49959 1/20 0.64
TDP1 Q9NUW8 4/20 0.58
POLB P06746 3/20 0.57
KDM4E B2RXH2 1/20 0.57
NSD2 O96028 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57
GFER P55789 1/20 0.57
MCL1 Q07820 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PTP4A3 O75365 1/20 0.52
NAT1 P18440 2/20 0.49
PTPN1 P18031 1/20 0.48
GSK3B P49841 3/20 0.46
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL6419343 1.00 MRE11 (0.64) MRE11TDP1POLBKDM4ENSD2
SCHEMBL18102943 0.82 PTP4A3 (0.75) TDP1POLBKDM4ENSD2GAA
SCHEMBL15421777 0.82 NAT1 (0.72) MRE11TDP1POLBKDM4ENSD2
SCHEMBL15421776 0.82 NAT1 (0.72) MRE11TDP1POLBKDM4ENSD2
SCHEMBL6416769 0.80 PTPN1 (0.77) MRE11TDP1POLBKDM4ENSD2
SCHEMBL6416767 0.80 PTPN1 (0.77) MRE11TDP1POLBKDM4ENSD2
SCHEMBL8172470 0.79 TDP1 (0.70) TDP1POLBKDM4ENSD2GAA
SCHEMBL8172469 0.79 TDP1 (0.70) TDP1POLBKDM4ENSD2GAA
Mirin SCHEMBL15421605 0.78 MRE11 (1.00) MRE11TDP1POLBMEN1KMT2A
Mirin SCHEMBL21296287 0.78 MRE11 (1.00) MRE11TDP1POLBMEN1KMT2A

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 MRE11 3352/4885TDP1 4871/4885POLB 4859/4885
US-20040009527-A1 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 MRE11 3352/4885TDP1 4871/4885POLB 4859/4885

“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.