SCHEMBL4712708

SCHEMBL4712708

O=C(O)c1cn([C@@H]2C[C@@H]2F)c2c(OC(F)F)cccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 4/20 0.40
CNR1 P21554 8/20 0.36
CNR2 P34972 8/20 0.36
CHRM1 P11229 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
TOP2A P11388 2/20 0.34
TOP2B Q02880 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4712706 1.00 CYP3A4 (0.44) CYP3A4KDM4ECNR1CNR2CHRM1
SCHEMBL4714888 0.86 CYP3A4 (0.52) CYP3A4KDM4ECNR2SMN1; SMN2CYP1A2
SCHEMBL500577 0.86 CYP3A4 (0.52) CYP3A4KDM4ECNR2SMN1; SMN2CYP1A2
SCHEMBL4714357 0.86 KDM4E (0.49) KDM4ECHRM1TOP2ATOP2BALDH1A1
SCHEMBL4716492 0.83 KDM4E (0.47) CYP3A4KDM4ECHRM1SMN1; SMN2CYP1A2
SCHEMBL4716491 0.83 KDM4E (0.47) CYP3A4KDM4ECHRM1SMN1; SMN2CYP1A2
SCHEMBL2670500 0.81 CYP3A4 (0.45) CYP3A4KDM4ECHRM1SMN1; SMN2CYP1A2
SCHEMBL5619151 0.81 CYP3A4 (0.45) CYP3A4KDM4ECHRM1SMN1; SMN2CYP1A2
SCHEMBL4747718 0.81 CYP3A4 (0.51) CYP3A4KDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL8131420 0.76 TOP2A (0.44) CYP3A4KDM4ECHRM1SMN1; SMN2CYP1A2

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 2617/4885KDM4E 3677/4885CNR1 3097/4885

“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.