SCHEMBL25914812

SCHEMBL25914812

CN(C)CCn1c(=O)c2ccccc2c2ccc3cc(Br)ccc3c21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.68
MPO P05164 5/20 0.46
HAVCR2 Q8TDQ0 1/20 0.46
RXRA P19793 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
STAT6 P42226 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
TOP2A P11388 1/20 0.42
XDH P47989 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL25914817 0.83 TDP1 (0.76) TDP1MPOHAVCR2CYP1A2CYP2D6
SCHEMBL25914830 0.81 TDP1 (1.00) TDP1MPOHAVCR2CYP1A2CYP2D6
SCHEMBL25914808 0.80 TDP1 (0.60) TDP1MPOHAVCR2CYP1A2CYP2D6
SCHEMBL25914829 0.79 TDP1 (0.72) TDP1MPOHAVCR2CYP1A2CYP2D6
SCHEMBL25914820 0.79 TDP1 (0.76) TDP1MPOHAVCR2CYP1A2CYP2D6
SCHEMBL25914804 0.78 TDP1 (0.67) TDP1MPOHAVCR2CYP1A2CYP2D6
SCHEMBL25914822 0.78 TDP1 (0.67) TDP1MPOHAVCR2CYP1A2CYP2D6
SCHEMBL13863964 0.77 TDP1 (0.62) TDP1MPOHAVCR2RXRATSHR
SCHEMBL25914824 0.76 TDP1 (0.80) TDP1MPOHAVCR2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6622867 0.76 TDP1 (0.44) TDP1MPOHAVCR2RXRATOP2A

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 1/4885MPO 1953/4885HAVCR2 4849/4885

“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.