SCHEMBL3958402

SCHEMBL3958402

CC1CN(c2cc3c(=O)c(C(=O)O)cn(C4CC4)c3c(O)c2F)CCN1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.66
HRH3 Q9Y5N1 1/20 0.66
ALDH1A1 P00352 7/20 0.65
KDM4E B2RXH2 6/20 0.65
HPGD P15428 5/20 0.65
HSD17B10 Q99714 5/20 0.65
POLB P06746 3/20 0.65
OPRM1 P35372 2/20 0.65
PRKD3 O94806 1/20 0.65
ALOX15 P16050 1/20 0.65
CLK2 P49760 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
PMP22 Q01453 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TOP2A P11388 4/20 0.50
TOP2B Q02880 4/20 0.50
CACNA1F O60840 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL5790693 0.88 KDM4E (0.78) KCNH2HRH3ALDH1A1KDM4EHPGD
SCHEMBL3957125 0.87 ALDH1A1 (0.79) KCNH2HRH3ALDH1A1KDM4EHPGD
SCHEMBL10774220 0.85 KCNH2 (0.83) KCNH2HRH3ALDH1A1KDM4EHPGD
SCHEMBL29593740 0.85 ALDH1A1 (0.81) KCNH2HRH3ALDH1A1KDM4EHPGD
SCHEMBL6783172 0.85 ALDH1A1 (0.81) KCNH2HRH3ALDH1A1KDM4EHPGD
SCHEMBL8437432 0.83 ALDH1A1 (0.70) KCNH2HRH3ALDH1A1KDM4EHPGD
SCHEMBL9501145 0.82 KCNH2 (0.87) KCNH2HRH3ALDH1A1KDM4EHPGD
SCHEMBL9792010 0.81 KCNH2 (0.79) KCNH2HRH3ALDH1A1KDM4EHPGD
SCHEMBL9838718 0.81 MEN1 (0.68) KCNH2HRH3ALDH1A1KDM4EHPGD
SCHEMBL6773934 0.81 KDM4E (0.76) KCNH2HRH3ALDH1A1KDM4EHPGD

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 KCNH2 2671/4885HRH3 4061/4885ALDH1A1 1962/4885
US-20070072868-A1 Novel synthesis of gatifloxacin GATD3, ATIC, PDE7A KCNH2 2731/4885HRH3 4068/4885ALDH1A1 1963/4885
US-20050080264-A1 Novel synthesis of gatifloxacin GATD3, ATIC, PDE7A KCNH2 2731/4885HRH3 4068/4885ALDH1A1 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.