SCHEMBL4716491

SCHEMBL4716491

O=C(O)c1cn([C@@H]2C[C@H]2F)c2c(OC(F)F)cc(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
TOP2A P11388 6/20 0.38
TOP2B Q02880 6/20 0.38
LMNA P02545 1/20 0.37
KCNH2 Q12809 3/20 0.37
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALB P02768 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TUBB4A P04350 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
SCHEMBL4716492 1.00 KDM4E (0.47) KDM4ESMN1; SMN2CYP1A2CYP3A4ALDH1A1
SCHEMBL4713047 0.87 KDM4E (0.52) KDM4ESMN1; SMN2CYP1A2CYP3A4ALDH1A1
SCHEMBL4713048 0.87 KDM4E (0.52) KDM4ESMN1; SMN2CYP1A2CYP3A4ALDH1A1
SCHEMBL4714916 0.87 KDM4E (0.52) KDM4ESMN1; SMN2CYP1A2ALDH1A1POLB
SCHEMBL4712706 0.83 CYP3A4 (0.44) KDM4ESMN1; SMN2CYP1A2CYP3A4ALDH1A1
SCHEMBL4712708 0.83 CYP3A4 (0.44) KDM4ESMN1; SMN2CYP1A2CYP3A4ALDH1A1
SCHEMBL6167584 0.83 KDM4E (0.54) KDM4ESMN1; SMN2CYP1A2CYP3A4ALDH1A1
SCHEMBL6167582 0.83 KDM4E (0.54) KDM4ESMN1; SMN2CYP1A2CYP3A4ALDH1A1
SCHEMBL8131531 0.82 TOP2A (0.44) KDM4ESMN1; SMN2CYP1A2CYP3A4ALDH1A1
SCHEMBL9094282 0.82 TOP2A (0.44) KDM4ESMN1; SMN2CYP1A2CYP3A4ALDH1A1

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 KDM4E 3677/4885SMN1; SMN2 3603/4885CYP1A2 2156/4885

“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.