SCHEMBL6416767

SCHEMBL6416767

COc1cc(O)ccc1/C=C1\SC(=N)NC1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.77
POLB P06746 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MRE11 P49959 1/20 0.57
CA2 P00918 1/20 0.54
GSK3B P49841 3/20 0.52
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NSD2 O96028 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
GFER P55789 1/20 0.51
MCL1 Q07820 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CES2 O00748 1/20 0.51
MAOB P27338 1/20 0.51
CISD1 Q9NZ45 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
SCHEMBL6416769 1.00 PTPN1 (0.77) PTPN1POLBMEN1KMT2AMRE11
SCHEMBL1250908 0.87 PTPN1 (1.00) PTPN1POLBCA2GSK3BMAPT
SCHEMBL1250906 0.87 PTPN1 (1.00) PTPN1POLBCA2GSK3BMAPT
SCHEMBL15421407 0.86 CA2 (0.73) PTPN1POLBMEN1KMT2ACA2
SCHEMBL15421403 0.86 CA2 (0.73) PTPN1POLBMEN1KMT2ACA2
SCHEMBL17413662 0.85 PTPN1 (0.77) PTPN1POLBMEN1KMT2ACA2
SCHEMBL8185586 0.82 PTPN1 (0.59) PTPN1POLBMEN1KMT2ACA2
SCHEMBL8185585 0.82 PTPN1 (0.59) PTPN1POLBMEN1KMT2ACA2
SCHEMBL6419340 0.80 MRE11 (0.64) PTPN1POLBMEN1KMT2AMRE11
SCHEMBL6419343 0.80 MRE11 (0.64) PTPN1POLBMEN1KMT2AMRE11

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 PTPN1 595/4885POLB 4859/4885MEN1 1966/4885
US-20040009527-A1 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 PTPN1 595/4885POLB 4859/4885MEN1 1966/4885

“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.