SCHEMBL2203435

SCHEMBL2203435

COc1c(N2CC(C)C(O)C(C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(CC(F)(F)F)c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.41
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE10A Q9Y233 3/20 0.36
KCNH2 Q12809 2/20 0.35
PRKD3 O94806 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.35
CLK2 P49760 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL12427356 1.00 TOP1 (0.41) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL964549 0.92 TOP1 (0.41) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL12917371 0.92 TOP1 (0.41) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL1974585 0.91 TOP1 (0.35) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL968188 0.89 TOP1 (0.40) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL12917260 0.89 TOP1 (0.40) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL12917514 0.89 TOP1 (0.41) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL966596 0.89 TOP1 (0.40) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL12917501 0.89 TOP1 (0.40) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL12917516 0.88 TOP1 (0.38) TOP1KDM4EALDH1A1POLBTDP1

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-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 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-20090181996-A1 SUBSTITUTED QUINOLONES III IRF3, TPMT, TOP2A TOP1 4/4885KDM4E 1743/4885ALDH1A1 3228/4885

“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.