SCHEMBL13744461

SCHEMBL13744461

COc1c(F)c(F)cc2c(=O)c(C(=O)OB(F)F)cn(C3CCCC3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
HPGD P15428 4/20 0.47
KCNH2 Q12809 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
OPRM1 P35372 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GSK3B P49841 2/20 0.46
ADRB2 P07550 1/20 0.44
LMNA P02545 1/20 0.43
TOP2A P11388 3/20 0.42
TOP2B Q02880 3/20 0.42
CYP2C19 P33261 1/20 0.40

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
SCHEMBL12917137 0.98 KDM4E (0.47) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL3129389 0.96 KDM4E (0.51) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL1155096 0.89 KDM4E (0.52) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL12427279 0.88 GSK3B (0.51) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL13744355 0.86 KDM4E (0.60) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL1342473 0.86 ADRB2 (0.56) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL3815792 0.86 CYP3A4 (0.41) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL12427281 0.86 CYP3A4 (0.41) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL10306128 0.86 CYP3A4 (0.41) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL762152 0.86 CYP3A4 (0.41) KDM4EHPGDKCNH2ALDH1A1HSD17B10

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 5 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-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
US-20080261964-A1 Substituted quinolones II AICURIS GMBH & CO. KG (DE) 2008-10-23 US disclosed
WO-2007003308-A1 SUBSTITUTED QUINOLONES II AICURIS GMBH & CO. KG (DE) 2007-01-11 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 (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 KDM4E 2492/4885HPGD 822/4885KCNH2 3303/4885

“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.