SCHEMBL21787290

SCHEMBL21787290

COc1c(N2CCC(CCN)C2)c(F)cc2c(=O)c(C(=O)O)cn(Cc3ccc4ccccc4c3)c12

nearest known ligand 0.90

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 11/20 0.90
KCNH2 Q12809 3/20 0.59
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 2/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
OPRM1 P35372 1/20 0.47
CLK2 P49760 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TOP2A P11388 2/20 0.46
TOP2B Q02880 2/20 0.46

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
SCHEMBL20242743 0.95 TOP1 (1.00) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL20258348 0.95 TOP1 (1.00) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL20242745 0.95 TOP1 (1.00) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL20258411 0.93 TOP1 (0.88) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL20258379 0.93 TOP1 (0.88) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL20258365 0.91 TOP1 (0.84) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL20258487 0.90 TOP1 (0.79) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL21786930 0.89 TOP1 (0.81) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL20258455 0.88 TOP1 (0.79) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL20258378 0.86 TOP1 (1.00) TOP1KCNH2

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-10981875-B2 Quinolone-based compounds with anticancer activity REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-04-20 US disclosed
US-20200071273-A1 QUINOLONE-BASED COMPOUNDS WITH ANTICANCER ACTIVITY UNIVERSITY OF IOWA RESEARCH FOUNDATION 2020-03-05 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 (2 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-20200071273-A1 QUINOLONE-BASED COMPOUNDS WITH ANTICANCER ACTIVITY TOP2A, TOP2B, TOP1 TOP1 3/4885KCNH2 3090/4885KDM4E 1627/4885
US-10981875-B2 Quinolone-based compounds with anticancer activity TOP2A, TOP2B, TOP1 TOP1 3/4885KCNH2 3090/4885KDM4E 1627/4885

“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.