SCHEMBL25914834

SCHEMBL25914834

CN(C)CCn1c(=O)c2cc3c(cc2c2ccc4cc5c(cc4c21)OCO5)OCO3

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 10/20 0.82
TOP1 P11387 1/20 0.53
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TSHR P16473 1/20 0.37
STAT6 P42226 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL25914860 0.94 TDP1 (0.84) TDP1TOP1CYP1A2CYP2D6CYP2C19
SCHEMBL30483855 0.93 TDP1 (0.96) TDP1TOP1JAK2JAK1TYK2
SCHEMBL21630105 0.93 TDP1 (0.96) TDP1TOP1JAK2JAK1TYK2
SCHEMBL30990831 0.93 TDP1 (0.96) TDP1TOP1JAK2JAK1TYK2
SCHEMBL25914829 0.92 TDP1 (0.72) TDP1TOP1CYP1A2CYP2D6CYP2C19
SCHEMBL25914847 0.90 TDP1 (1.00) TDP1TOP1JAK2JAK1TYK2
SCHEMBL12457085 0.90 TDP1 (0.77) TDP1TOP1CYP1A2CYP2D6CYP2C19
SCHEMBL25914827 0.90 TDP1 (0.71) TDP1TOP1CYP1A2CYP2D6CYP2C19
SCHEMBL12523086 0.88 TDP1 (1.00) TDP1TOP1JAK2JAK1TYK2
SCHEMBL25914840 0.88 TDP1 (1.00) TDP1TOP1JAK2JAK1TYK2

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-20230219895-A1 OXYNITIDINE DERIVATIVES USEFUL AS INHIBITORS OF TOPOISOMERASE IB (TOP1) AND TYROSYL-DNA PHOSPHODIESTERASE 1 (TDP1) SHENZHEN XUHUA BIOTECH CO. LTD. (CN) 2023-07-13 US disclosed
US-20230219895-A1 OXYNITIDINE DERIVATIVES USEFUL AS INHIBITORS OF TOPOISOMERASE IB (TOP1) AND TYROSYL-DNA PHOSPHODIESTERASE 1 (TDP1) SHENZHEN XUHUA BIOTECH CO. LTD. (CN) 2023-07-13 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-20230219895-A1 OXYNITIDINE DERIVATIVES USEFUL AS INHIBITORS OF TOPOISOMERASE IB (TOP1) AND TYROSYL-DNA PHOSPHODIESTERASE 1 (TDP1) TDP1, TOP1, TOP2A TDP1 1/4885TOP1 2/4885CYP1A2 835/4885

“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.