SCHEMBL25518364

SCHEMBL25518364

O=C(O)c1coc(NI)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.36
KDM4E B2RXH2 4/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CES1 P23141 1/20 0.35
HIF1A Q16665 1/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM5A P29375 1/20 0.31
JMJD1C Q15652 1/20 0.31
KDM3A Q9Y4C1 1/20 0.31
PTPN1 P18031 1/20 0.31
NLRP3 Q96P20 1/20 0.30
LMNA P02545 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
SCHEMBL22916865 0.82 HDAC1 (0.42) HDAC1HDAC8HDAC6NLRP3
SCHEMBL18629308 0.80 HDAC1 (0.40) HDAC1KDM4EALOX15TSHRACMSD
SCHEMBL15053076 0.77 KDM4E (0.46) HDAC1KDM4EALOX15TSHRACMSD
SCHEMBL3370259 0.76 ELANE (0.37) HDAC1KDM4EALOX15TSHRACMSD
SCHEMBL28792014 0.76 HDAC1 (0.34) HDAC1KDM4EALOX15TSHRACMSD
SCHEMBL3539633 0.76 ELANE (0.37) HDAC1KDM4EALOX15TSHRACMSD
SCHEMBL23021251 0.76 HDAC1 (0.37) HDAC1KDM4EALOX15TSHRACMSD
SCHEMBL3347980 0.74 MMP2 (0.43) HDAC1NLRP3
SCHEMBL554753 0.74 KLKB1 (0.50) HDAC1KDM4EALOX15TSHRACMSD
SCHEMBL12999910 0.73 KMT2A (0.42) HDAC1KDM4ETSHRCES1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 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-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 HDAC1 6/4885KDM4E 4107/4885ALOX15 3778/4885

“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.