SCHEMBL4715452

SCHEMBL4715452

COc1c(N2CCN[C@@H](c3ccccc3)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.79
▸ HPGD P15428 4/20 0.79
▸ ALDH1A1 P00352 4/20 0.79
▸ KCNH2 Q12809 3/20 0.79
▸ HSD17B10 Q99714 2/20 0.79
▸ POLB P06746 2/20 0.79
▸ TDP1 Q9NUW8 2/20 0.79
▸ PRKD3 O94806 1/20 0.79
▸ ALOX15 P16050 1/20 0.79
▸ OPRM1 P35372 1/20 0.79
▸ CLK2 P49760 1/20 0.79
▸ CLK4 Q9HAZ1 1/20 0.79
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ LMNA P02545 2/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ CYP2C19 P33261 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ TOP1 P11387 2/20 0.54
▸ GSK3B P49841 2/20 0.54

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
SCHEMBL4761508 1.00 KDM4E (0.79) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL10863651 0.91 KDM4E (0.64) KDM4EHPGDALDH1A1KCNH2HSD17B10
Hydrochloric Acid SCHEMBL4713001 0.90 KDM4E (0.64) KDM4EHPGDALDH1A1KCNH2HSD17B10
Gatifloxacin SCHEMBL2224369 0.88 KDM4E (1.00) KDM4EHPGDALDH1A1KCNH2HSD17B10
Gatifloxacin SCHEMBL22591 0.88 KDM4E (1.00) KDM4EHPGDALDH1A1KCNH2HSD17B10
(S)-Gatifloxacin SCHEMBL22592 0.88 KDM4E (1.00) KDM4EHPGDALDH1A1KCNH2HSD17B10
(S)-Gatifloxacin SCHEMBL30910969 0.88 KDM4E (1.00) KDM4EHPGDALDH1A1KCNH2HSD17B10
Gatifloxacin SCHEMBL29356306 0.88 KDM4E (1.00) KDM4EHPGDALDH1A1KCNH2HSD17B10
(R)-Gatifloxacin SCHEMBL5670068 0.88 KDM4E (1.00) KDM4EHPGDALDH1A1KCNH2HSD17B10
Gatifloxacin SCHEMBL4820507 0.88 KDM4E (0.89) 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 4 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 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
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

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 3677/4885HPGD 146/4885ALDH1A1 800/4885

“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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