SCHEMBL25914830

SCHEMBL25914830

COc1cc2ccc3c4ccccc4c(=O)n(CCN(C)C)c3c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 1.00
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
MPO P05164 1/20 0.42
HAVCR2 Q8TDQ0 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
STAT6 P42226 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 2/20 0.41
BRD2 P25440 2/20 0.41
BRD9 Q9H8M2 2/20 0.41
BRD7 Q9NPI1 2/20 0.41
TOP2A P11388 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL25914833 0.92 TDP1 (1.00) TDP1JAK2JAK1TYK2JAK3
SCHEMBL25914824 0.88 TDP1 (0.80) TDP1JAK2JAK1TYK2JAK3
SCHEMBL25914817 0.86 TDP1 (0.76) TDP1JAK2JAK1TYK2JAK3
SCHEMBL25914820 0.86 TDP1 (0.76) TDP1JAK2JAK1TYK2JAK3
SCHEMBL25914815 0.85 TDP1 (0.81) TDP1JAK2JAK1TYK2JAK3
SCHEMBL25914845 0.85 TDP1 (0.87) TDP1JAK2JAK1TYK2JAK3
SCHEMBL25914848 0.84 TDP1 (0.85) TDP1JAK2JAK1TYK2JAK3
SCHEMBL25914841 0.84 TDP1 (0.85) TDP1JAK2JAK1TYK2JAK3
SCHEMBL25914847 0.83 TDP1 (1.00) TDP1JAK2JAK1TYK2JAK3
SCHEMBL25914812 0.81 TDP1 (0.68) TDP1JAK2JAK1TYK2JAK3

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 1/4885JAK2 3608/4885JAK1 907/4885

“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.