SCHEMBL20258348

SCHEMBL20258348

COc1c(N2CC[C@H](CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(Cc3ccc4ccccc4c3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 13/20 1.00
KCNH2 Q12809 3/20 0.67
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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 1.00 TOP1 (1.00) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL20242745 1.00 TOP1 (1.00) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL21787290 0.95 TOP1 (0.90) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL20258411 0.93 TOP1 (0.88) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL20258379 0.93 TOP1 (0.88) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL20258365 0.91 TOP1 (0.84) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL20258349 0.91 TOP1 (1.00) TOP1KCNH2
SCHEMBL20258378 0.91 TOP1 (1.00) TOP1KCNH2
SCHEMBL20258363 0.91 TOP1 (1.00) TOP1KCNH2
SCHEMBL21786930 0.90 TOP1 (0.81) TOP1KCNH2KDM4EALDH1A1LMNA

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 3 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
WO-2018107112-A1 QUINOLONE-BASED COMPOUNDS WITH ANTICANCER ACTIVITY UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2018-06-14 WO 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.