SCHEMBL4865183

SCHEMBL4865183

COc1c(F)c(F)cc2c1N(C1CC1)C(C(=O)O)C(=O)C2=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.32
PRKD3 O94806 1/20 0.32
ALOX15 P16050 1/20 0.32
OPRM1 P35372 1/20 0.32
CLK2 P49760 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MGLL Q99685 2/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL4864333 0.86 TNF (0.36) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL9416048 0.85 MEN1 (0.30) MEN1KMT2A
SCHEMBL9846541 0.81 KDM4E (0.36) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9846461 0.81 KDM4E (0.36) KCNH2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9846543 0.80 KDM4E (0.36) KCNH2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9846570 0.80 KDM4E (0.36) KCNH2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9846578 0.80 KDM4E (0.36) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2226707 0.78 KDM4E (0.57) KCNH2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL5945948 0.77 KDM4E (0.58) KCNH2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7615094 0.77 KDM4E (0.57) KCNH2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089388-B1 PROCESS FOR THE SYNTHESIS OF MOXIFLOXACIN HYDROCHLORIDE CIPLA LTD (IN) 2014-01-29 EP claimed
US-7365201-B2 Process for the preparation of the boron difluoride chelate of quinolone-3-carboxylic acid APOTEX PHARMACHEM INC. 2008-04-29 US claimed
US-20070208174-A1 Process for the preparation of the boron difluoride chelate of quinolone-3-carboxylic acid APOTEX PHARMACHEM INC. 2007-09-06 US claimed
WO-2004101527-A1 PROCESS FOR PREPARING OMEGA-ANHYDROUS GATIFLOXACIN CADILA HEALTHCARE LIMITED (IN) 2004-11-25 WO claimed
US-7365201-B2 Process for the preparation of the boron difluoride chelate of quinolone-3-carboxylic acid APOTEX PHARMACHEM INC. 2008-04-29 US disclosed
US-7365201-B2 Process for the preparation of the boron difluoride chelate of quinolone-3-carboxylic acid APOTEX PHARMACHEM INC. 2008-04-29 US disclosed
US-20070208174-A1 Process for the preparation of the boron difluoride chelate of quinolone-3-carboxylic acid APOTEX PHARMACHEM INC. 2007-09-06 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-20070208174-A1 Process for the preparation of the boron difluoride chelate of quinolone-3-carboxylic acid ABL1, SFXN3, CA6 KCNH2 61/4885KDM4E 2027/4885ALDH1A1 3490/4885

“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.