SCHEMBL21729422

SCHEMBL21729422

CC(C)c1ccc2c(=O)[nH][nH]c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
KIF11 P52732 1/20 0.44
HSD17B10 Q99714 1/20 0.43
RNASEH1 O60930 1/20 0.42
DAO P14920 5/20 0.42
EIF4A3 P38919 1/20 0.40
PTPN1 P18031 1/20 0.40
TBK1 Q9UHD2 2/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40
FLT1 P17948 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
SCHEMBL12219908 0.86 CHEK1 (0.53) KDM4EKIF11RNASEH1DAOEIF4A3
SCHEMBL13850171 0.86 DAO (0.53) KDM4EKIF11HSD17B10RNASEH1DAO
SCHEMBL12219900 0.77 TBK1 (0.40) KDM4EKIF11RNASEH1EIF4A3PTPN1
SCHEMBL12219897 0.76 PARP1 (0.39) KDM4EKIF11RNASEH1EIF4A3PTPN1
SCHEMBL8164001 0.76 MCL1 (0.40) KDM4EKIF11RNASEH1EIF4A3PTPN1
SCHEMBL13361459 0.76 RNASEH1 (0.39) KDM4EKIF11RNASEH1EIF4A3PTPN1
SCHEMBL8161177 0.76 HTR1D (0.41) KDM4EKIF11RNASEH1DAOEIF4A3
SCHEMBL20982388 0.76 PTPN1 (0.45) KDM4EKIF11RNASEH1EIF4A3PTPN1
SCHEMBL8184390 0.75 HTR1D (0.47) KDM4EKIF11RNASEH1TBK1AURKA
SCHEMBL18363786 0.74 KIF11 (0.38) KDM4EKIF11RNASEH1DAOEIF4A3

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-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 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-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 KDM4E 2957/4885KIF11 1469/4885HSD17B10 640/4885

“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.