SCHEMBL4715432

SCHEMBL4715432

COc1cc(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
TOP2A P11388 2/20 0.43
TOP2B Q02880 2/20 0.43
GSK3B P49841 10/20 0.42
KCNH2 Q12809 3/20 0.41
CACNA1F O60840 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
DPP4 P27487 2/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL4715429 1.00 CYP3A4 (0.43) CYP3A4TOP2ATOP2BGSK3BKCNH2
SCHEMBL4719276 0.87 GSK3B (0.56) TOP2ATOP2BGSK3BKCNH2CACNA1F
SCHEMBL4673155 0.87 TOP2A (0.44) CYP3A4TOP2ATOP2BGSK3BKCNH2
SCHEMBL4673154 0.87 TOP2A (0.44) CYP3A4TOP2ATOP2BGSK3BKCNH2
SCHEMBL4715679 0.86 TOP2A (0.47) CYP3A4TOP2ATOP2BGSK3BKCNH2
SCHEMBL4715677 0.86 TOP2A (0.47) CYP3A4TOP2ATOP2BGSK3BKCNH2
SCHEMBL4671198 0.83 CYP3A4 (0.46) CYP3A4TOP2ATOP2BGSK3BKCNH2
SCHEMBL502617 0.82 GSK3B (0.51) CYP3A4TOP2ATOP2BGSK3BKCNH2
SCHEMBL5783269 0.82 GSK3B (0.51) CYP3A4TOP2ATOP2BGSK3BKCNH2
SCHEMBL2083988 0.81 CYP3A4 (0.47) CYP3A4TOP2ATOP2BGSK3BKCNH2

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-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
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 CYP3A4 2617/4885TOP2A 736/4885TOP2B 1591/4885

“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.