SCHEMBL13744862

SCHEMBL13744862

COc1c(N2C[C@@H](C)N[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CCCC3)c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.76
KCNH2 Q12809 5/20 0.76
HPGD P15428 4/20 0.76
ALDH1A1 P00352 4/20 0.76
POLB P06746 3/20 0.76
HSD17B10 Q99714 2/20 0.76
TDP1 Q9NUW8 2/20 0.76
PRKD3 O94806 1/20 0.76
ALOX15 P16050 1/20 0.76
OPRM1 P35372 1/20 0.76
CLK2 P49760 1/20 0.76
CLK4 Q9HAZ1 1/20 0.76
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
LMNA P02545 2/20 0.62
CYP2C19 P33261 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
CACNA1F O60840 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL12917157 0.98 KDM4E (0.76) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL968199 0.96 KDM4E (0.82) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL968200 0.96 KDM4E (0.82) KDM4EKCNH2HPGDALDH1A1POLB
Hydrochloric Acid SCHEMBL9774015 0.94 KDM4E (0.79) KDM4EKCNH2HPGDALDH1A1POLB
Hydrochloric Acid SCHEMBL9774005 0.94 KDM4E (0.79) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL4711938 0.87 KDM4E (0.66) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL968932 0.87 KDM4E (0.66) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL12917170 0.87 KDM4E (0.66) KDM4EKCNH2HPGDALDH1A1POLB
SCHEMBL6458734 0.87 KDM4E (0.75) KDM4EKCNH2HPGDALDH1A1POLB
(R)-Gatifloxacin SCHEMBL5670068 0.86 KDM4E (1.00) KDM4EKCNH2HPGDALDH1A1POLB

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 2492/4885KCNH2 3303/4885HPGD 822/4885

“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.