SCHEMBL25914855

SCHEMBL25914855

CN(C)CCn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 12/20 1.00
TOP1 P11387 1/20 0.52
CYP19A1 P11511 2/20 0.42
NQO2 P16083 2/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
RAD52 P43351 1/20 0.41
RECQL P46063 1/20 0.40
HPGD P15428 3/20 0.39
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
RGS17 Q9UGC6 2/20 0.39
RGS12 O14924 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL25914854 0.89 TDP1 (0.80) TDP1TOP1CYP19A1NQO2KDM4E
SCHEMBL25914831 0.88 TDP1 (0.78) TDP1TOP1CYP19A1NQO2KDM4E
SCHEMBL25914834 0.87 TDP1 (0.82) TDP1TOP1KDM4EALDH1A1MAPT
SCHEMBL25914863 0.86 TDP1 (1.00) TDP1TOP1KDM4EALDH1A1MAPT
SCHEMBL25914829 0.84 TDP1 (0.72) TDP1TOP1KDM4EALDH1A1MAPT
SCHEMBL25914857 0.82 TDP1 (1.00) TDP1TOP1KDM4EALDH1A1MAPT
SCHEMBL31425123 0.82 TDP1 (0.69) TDP1TOP1CYP19A1NQO2KDM4E
SCHEMBL27899338 0.82 TDP1 (0.69) TDP1TOP1CYP19A1NQO2KDM4E
SCHEMBL25914860 0.82 TDP1 (0.84) TDP1TOP1KDM4EMEN1KMT2A
SCHEMBL21630105 0.80 TDP1 (0.96) TDP1TOP1CYP19A1NQO2KDM4E

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 2/4885CYP19A1 462/4885

“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.