SCHEMBL25607486

SCHEMBL25607486

Cc1c(CCl)ccc2c3c(c(=O)[nH]c12)CCO3

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALPG P10696 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 3/20 0.34
PON1 P27169 1/20 0.33
NQO2 P16083 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL25187590 0.86 PARP1 (0.33) PARP1CYP1A2CYP2D6ALPGCYP2C19
SCHEMBL30235082 0.86 PARP1 (0.33) PARP1CYP1A2CYP2D6ALPGCYP2C19
SCHEMBL31302852 0.80 PARP1 (0.35) PARP1CYP1A2CYP2D6ALPGCYP2C19
SCHEMBL25607482 0.75 PARP1 (0.37) PARP1CYP1A2CYP2D6ALPGCYP2C19
SCHEMBL25187586 0.75 PARP1 (0.34) PARP1CYP1A2CYP2D6ALPGCYP2C19
SCHEMBL8478795 0.75 HPGD (0.44) PARP1CYP1A2CYP2D6ALPGCYP2C19
SCHEMBL30618929 0.73 P2RX7 (0.30)
SCHEMBL30618930 0.73 CYP1A2 (0.30) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL30018760 0.72 PARP1 (0.49) PARP1CYP1A2CYP2D6ALPGCYP2C19
SCHEMBL25093447 0.72 PARP1 (0.49) PARP1CYP1A2CYP2D6ALPGCYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159525-A1 AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-05-25 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-20230159525-A1 AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 PARP1 1/4885CYP1A2 2630/4885CYP2D6 3396/4885

“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.