SCHEMBL3963299

SCHEMBL3963299

COc1c(N2CCNCC2C)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.70
HPGD P15428 5/20 0.70
ALDH1A1 P00352 5/20 0.70
KCNH2 Q12809 3/20 0.70
HSD17B10 Q99714 3/20 0.70
POLB P06746 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
PRKD3 O94806 1/20 0.70
ALOX15 P16050 1/20 0.70
OPRM1 P35372 1/20 0.70
CLK2 P49760 1/20 0.70
CLK4 Q9HAZ1 1/20 0.70
LMNA P02545 4/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CYP2C19 P33261 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
ATM Q13315 1/20 0.54
GSK3B P49841 2/20 0.52

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
SCHEMBL13841373 0.93 KDM4E (0.60) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL1859192 0.91 KDM4E (0.57) KDM4EHPGDALDH1A1KCNH2HSD17B10
Hydrochloric Acid SCHEMBL1857760 0.90 KDM4E (0.57) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL4715450 0.89 KDM4E (0.62) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL1155026 0.87 KDM4E (0.80) KDM4EHPGDALDH1A1KCNH2HSD17B10
Hydrochloric Acid SCHEMBL9751979 0.86 KDM4E (0.79) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL28079403 0.86 KDM4E (0.79) KDM4EHPGDALDH1A1KCNH2HSD17B10
Methyl Alcohol SCHEMBL29163210 0.86 KDM4E (0.79) KDM4EHPGDALDH1A1KCNH2HSD17B10
Water SCHEMBL28828205 0.86 KDM4E (0.79) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL27918942 0.86 KDM4E (0.79) KDM4EHPGDALDH1A1KCNH2HSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531656-B2 Synthesis of gatifloxacin TEVA PHARMACEUTICALS USA, INC. (US) 2009-05-12 US disclosed
US-20080188658-A1 Novel synthesis of gatifloxacin TEVA PHARMACEUTICALS USA, INC. 2008-08-07 US disclosed
US-20070072868-A1 Novel synthesis of gatifloxacin TEVA PHARMACEUTICAL INDUSTRIES LTD. 2007-03-29 US disclosed
US-20050080264-A1 Novel synthesis of gatifloxacin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-04-14 US disclosed
EP-1478642-A1 SYNTHESIS OF GATIFLOXACIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-11-24 EP disclosed
WO-2004069825-A1 SYNTHESIS OF GATIFLOXACIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-08-19 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 (3 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-20080188658-A1 Novel synthesis of gatifloxacin GATD3, ATIC, PDE7A KDM4E 661/4885HPGD 1813/4885ALDH1A1 1962/4885
US-20070072868-A1 Novel synthesis of gatifloxacin GATD3, ATIC, PDE7A KDM4E 639/4885HPGD 1829/4885ALDH1A1 1963/4885
US-20050080264-A1 Novel synthesis of gatifloxacin GATD3, ATIC, PDE7A KDM4E 639/4885HPGD 1829/4885ALDH1A1 1963/4885

“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.