SCHEMBL13326540

SCHEMBL13326540

CN1COc2c(N3CCC(Nc4ccccn4)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
TOP2A P11388 14/20 0.48
TOP2B Q02880 10/20 0.48
TOP1 P11387 3/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALB P02768 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL3285735 0.95 KDM4E (0.65) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL13326835 0.90 KDM4E (0.60) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL13326535 0.90 KDM4E (0.60) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL13326846 0.90 KDM4E (0.60) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL3285229 0.90 KDM4E (0.60) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL3291611 0.88 KDM4E (0.58) KDM4ETOP2ATOP2BALDH1A1HPGD
SCHEMBL13326598 0.87 KDM4E (0.62) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL3284348 0.87 KDM4E (0.62) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL3284385 0.86 KDM4E (0.60) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL3285671 0.86 KDM4E (0.60) KDM4ETOP2ATOP2BTOP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 US 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-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS CBR3, CBR1, TECR KDM4E 3748/4885TOP2A 532/4885TOP2B 523/4885

“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.