SCHEMBL2199878

SCHEMBL2199878

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.52
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 4/20 0.51
KCNH2 Q12809 3/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
OPRM1 P35372 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PMP22 Q01453 1/20 0.48
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12427302 1.00 TOP1 (0.52) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1974255 0.90 KDM4E (0.42) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL966516 0.89 KDM4E (0.58) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4252822 0.89 KDM4E (0.58) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1970507 0.87 TOP1 (0.57) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12917205 0.85 KDM4E (0.72) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4366166 0.84 TOP1 (0.56) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12917166 0.83 KDM4E (0.57) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4376423 0.83 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL1971638 0.82 TOP1 (0.56) TOP1KDM4EALDH1A1HPGDHSD17B10

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.