SCHEMBL145484

SCHEMBL145484

CCc1c(C(=O)O)c(=O)c2cc(F)c(F)c(C#CCC3CCCN3)c2n1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PMP22 Q01453 1/20 0.32
PIM1 P11309 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
PIM3 Q86V86 1/20 0.31
CSNK1G1 Q9HCP0 1/20 0.31
POLB P06746 1/20 0.31
PRKD3 O94806 1/20 0.31
ALOX15 P16050 1/20 0.31
OPRM1 P35372 1/20 0.31
CLK2 P49760 1/20 0.31
KCNH2 Q12809 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL142290 0.81 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL142291 0.81 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL144830 0.81 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL142929 0.81 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7489369 0.80 STAT3 (0.40) KDM4EALDH1A1HPGDHSD17B10PIM1
SCHEMBL141806 0.78 ALOX5AP (0.35) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL143342 0.78 ALOX5AP (0.35) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL143726 0.77 TOP2A (0.39) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL143606 0.77 KCNH2 (0.40) KDM4EALDH1A1HPGDHSD17B10PIM1
SCHEMBL145483 0.76 ADRB2 (0.50) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 KDM4E 2563/4885ALDH1A1 1678/4885HPGD 917/4885

“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.