SCHEMBL5653364

SCHEMBL5653364

O=C(O)c1cn([C@@H]2C[C@@H]2F)c2ncc(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
CYP1A2 P05177 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DPP4 P27487 3/20 0.40
HTR3A P46098 1/20 0.39
TOP2A P11388 7/20 0.38
TOP2B Q02880 7/20 0.38
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.36
EPHA2 P29317 1/20 0.36
FLT4 P35916 1/20 0.36
GSK3B P49841 1/20 0.36
RARB P10826 1/20 0.36
TBXAS1 P24557 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5653361 1.00 KDM4E (0.44) KDM4ECYP1A2SMN1; SMN2DPP4HTR3A
SCHEMBL1650228 0.85 DPP4 (0.50) KDM4ECYP1A2SMN1; SMN2DPP4HTR3A
SCHEMBL5619749 0.80 KDM4E (0.41) KDM4ECYP1A2SMN1; SMN2DPP4TOP2A
SCHEMBL7547902 0.79 KDM4E (0.49) KDM4ECYP1A2SMN1; SMN2DPP4HTR3A
SCHEMBL8926557 0.79 KDM4E (0.43) KDM4ETOP2ATOP2BCYP3A4GSK3B
SCHEMBL8926554 0.79 KDM4E (0.43) KDM4ETOP2ATOP2BCYP3A4GSK3B
SCHEMBL4747719 0.79 TOP2A (0.47) KDM4ECYP1A2SMN1; SMN2DPP4TOP2A
SCHEMBL9283675 0.79 DPP4 (0.44) KDM4ECYP1A2SMN1; SMN2DPP4TOP2A
SCHEMBL9014149 0.79 DPP4 (0.47) DPP4TOP2ATOP2BKMT2ACYP3A4
SCHEMBL9097293 0.79 DPP4 (0.47) DPP4TOP2ATOP2BKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3677/4885CYP1A2 2156/4885SMN1; SMN2 3603/4885

“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.