SCHEMBL4714374

SCHEMBL4714374

COc1cccc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.52
▸ KCNH2 Q12809 4/20 0.52
▸ GSK3B P49841 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TOP2A P11388 4/20 0.47
▸ TOP2B Q02880 4/20 0.47
▸ DPP4 P27487 2/20 0.47
▸ CNR2 P34972 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL29793501 1.00 KDM4E (0.52) KDM4EKCNH2GSK3BALDH1A1HPGD
SCHEMBL6215702 0.85 TDP1 (0.48) KDM4EKCNH2CNR2TDP1
SCHEMBL4714357 0.84 KDM4E (0.49) KDM4EKCNH2GSK3BALDH1A1TOP2A
SCHEMBL500577 0.84 CYP3A4 (0.52) KDM4EGSK3BALDH1A1HPGDDPP4
SCHEMBL4714888 0.84 CYP3A4 (0.52) KDM4EGSK3BALDH1A1HPGDDPP4
SCHEMBL4717958 0.83 KDM4E (0.57) KDM4EKCNH2GSK3BALDH1A1HPGD
SCHEMBL29433780 0.83 KDM4E (0.57) KDM4EKCNH2GSK3BALDH1A1HPGD
SCHEMBL2109053 0.82 CNR2 (0.40) KDM4EKCNH2GSK3BALDH1A1HPGD
SCHEMBL2109051 0.82 CNR2 (0.40) KDM4EKCNH2GSK3BALDH1A1HPGD
SCHEMBL27339827 0.81 TOP2A (0.58) KDM4EKCNH2GSK3BALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262477-B1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI SANKYO CO LTD (JP) 2008-09-03 — — EP claimed
US-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-26 — — US claimed
EP-1262477-A1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 — — EP claimed
EP-1262477-B1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI SANKYO CO LTD (JP) 2008-09-03 — — EP disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 — — US disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 — — WO disclosed
US-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-26 — — US disclosed
EP-1262477-A1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 — — EP disclosed
EP-1226146-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2002-07-31 — — EP disclosed
WO-2001032655-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2001-05-10 — — 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-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient PGD, PPA1, FASTKD1 KDM4E 3677/4885KCNH2 2383/4885GSK3B 4560/4885

“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.

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