SCHEMBL21787284

SCHEMBL21787284

COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(Cc3ccc(-c4ccccc4)cc3)c12

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 12/20 0.68
CHRM1 P11229 5/20 0.64

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
SCHEMBL21787283 0.92 TOP1 (0.67) TOP1CHRM1
SCHEMBL20258342 0.88 TOP1 (0.67) TOP1CHRM1
SCHEMBL20258352 0.85 TOP1 (0.67) TOP1CHRM1
SCHEMBL20258354 0.85 TOP1 (0.62) TOP1CHRM1
SCHEMBL20258361 0.84 TOP1 (0.75) TOP1CHRM1
SCHEMBL20258384 0.83 TOP1 (0.60) TOP1CHRM1
SCHEMBL20258356 0.83 TOP1 (0.68) TOP1CHRM1
SCHEMBL20258387 0.83 TOP1 (0.68) TOP1CHRM1
SCHEMBL8503513 0.82 KDM4E (0.53) TOP1
SCHEMBL8736415 0.82 CHRM1 (0.53) TOP1CHRM1

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 3/4885CHRM1 4607/4885
US-10981875-B2 Quinolone-based compounds with anticancer activity TOP2A, TOP2B, TOP1 TOP1 3/4885CHRM1 4607/4885

“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.