SCHEMBL25914804

SCHEMBL25914804

COc1ccc2c(c1)c(=O)n(CCN(C)C)c1c3ccccc3ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.67
HTR2A P28223 4/20 0.48
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
STAT6 P42226 1/20 0.47
HIF1A Q16665 1/20 0.47
HTR2C P28335 3/20 0.46
KAT2B Q92831 2/20 0.46
DYRK1A Q13627 2/20 0.46
KCNA5 P22460 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR6 P50406 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MPO P05164 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL25914822 0.95 TDP1 (0.67) TDP1HTR2AHSD17B10CYP1A2CYP2D6
SCHEMBL25914820 0.94 TDP1 (0.76) TDP1HTR2AHSD17B10CYP1A2CYP2D6
SCHEMBL25914817 0.92 TDP1 (0.76) TDP1HTR2AHSD17B10CYP1A2CYP2D6
SCHEMBL25914824 0.87 TDP1 (0.80) TDP1HSD17B10CYP1A2CYP2D6TSHR
SCHEMBL25914808 0.84 TDP1 (0.60) TDP1HSD17B10CYP1A2CYP2D6TSHR
SCHEMBL25914830 0.81 TDP1 (1.00) TDP1HSD17B10CYP1A2CYP2D6TSHR
SCHEMBL25914827 0.79 TDP1 (0.71) TDP1HSD17B10CYP1A2CYP2D6TSHR
SCHEMBL25914812 0.78 TDP1 (0.68) TDP1HSD17B10CYP1A2CYP2D6TSHR
SCHEMBL25914815 0.77 TDP1 (0.81) TDP1HSD17B10CYP1A2STAT6HTR6
SCHEMBL25914833 0.76 TDP1 (1.00) TDP1HTR2AHSD17B10HTR2CKAT2B

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 1/4885HTR2A 3204/4885HSD17B10 1687/4885

“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.