SCHEMBL4715679

SCHEMBL4715679

Cc1cc(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.47
TOP2B Q02880 5/20 0.47
GSK3B P49841 10/20 0.44
CACNA1F O60840 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
CACNA1D Q01668 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 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
SCHEMBL4715677 1.00 TOP2A (0.47) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL4673154 0.90 TOP2A (0.44) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL4673155 0.90 TOP2A (0.44) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL4713790 0.86 TOP2A (0.61) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL4715429 0.86 CYP3A4 (0.43) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL4715432 0.86 CYP3A4 (0.43) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL5236368 0.83 GSK3B (0.50) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL14572392 0.83 GSK3B (0.53) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL4747724 0.83 GSK3B (0.50) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL501142 0.83 GSK3B (0.50) TOP2ATOP2BGSK3BCACNA1FPOLB

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 TOP2A 736/4885TOP2B 1591/4885GSK3B 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.