SCHEMBL4248698

SCHEMBL4248698

O=C(OB(OF)OF)c1cn(C2CC2)c2c(C(F)(F)F)c(F)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.38
TOP2B Q02880 6/20 0.38
ADRB2 P07550 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
OPRM1 P35372 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRD1 P41143 1/20 0.35
KCNH2 Q12809 5/20 0.34
GSK3B P49841 2/20 0.34
KDM4E B2RXH2 1/20 0.33
PRKD3 O94806 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CLK2 P49760 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4248696 0.90 TOP2A (0.39) TOP2ATOP2BADRB2ALDH1A1POLB
SCHEMBL2825321 0.84 KCNH2 (0.45) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8785240 0.82 TOP2A (0.54) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8927420 0.82 ADRB2 (0.51) TOP2ATOP2BADRB2ALDH1A1KCNH2
SCHEMBL8785244 0.78 TOP2A (0.39) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL13520173 0.76 TOP2A (0.41) TOP2ATOP2BADRB2ALDH1A1POLB
SCHEMBL4248699 0.76 TOP2A (0.33) TOP2ATOP2B
SCHEMBL2601633 0.75 KCNH2 (0.44) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL13945289 0.74 ADRB2 (0.43) TOP2ATOP2BADRB2ALDH1A1POLB
SCHEMBL2825319 0.73 KCNH2 (0.46) TOP2ATOP2BADRB2ALDH1A1POLB

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-7569563-B2 Substituted quinolones II AICURIS GMBH & CO. HK (DE) 2009-08-04 US disclosed
US-20080261964-A1 Substituted quinolones II AICURIS GMBH & CO. KG (DE) 2008-10-23 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-20080261964-A1 Substituted quinolones II TOP2A, TPMT, TOP2B TOP2A 1/4885TOP2B 3/4885ADRB2 2234/4885

“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.