SCHEMBL4713767

SCHEMBL4713767

COc1c(N2CCNC(CF)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.67
ALDH1A1 P00352 6/20 0.67
HPGD P15428 6/20 0.67
HSD17B10 Q99714 4/20 0.67
KCNH2 Q12809 3/20 0.67
POLB P06746 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
PRKD3 O94806 1/20 0.67
ALOX15 P16050 1/20 0.67
OPRM1 P35372 1/20 0.67
CLK2 P49760 1/20 0.67
CLK4 Q9HAZ1 1/20 0.67
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 2/20 0.51
PMP22 Q01453 1/20 0.51
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
TOP1 P11387 3/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4716755 0.94 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL7106306 0.88 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL5650752 0.88 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10KCNH2
Hydrochloric Acid SCHEMBL4713001 0.86 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL29080642 0.85 KCNH2 (0.65) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL30626289 0.85 KCNH2 (0.65) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL968932 0.83 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL4711938 0.83 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL12917170 0.83 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL4713727 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10KCNH2

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 3677/4885ALDH1A1 800/4885HPGD 146/4885

“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.