SCHEMBL115123

SCHEMBL115123

CCOC(=O)c1cn(C2CC2)c2c(O)c(F)ccc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.54
TDP1 Q9NUW8 1/20 0.46
STAT3 P40763 2/20 0.43
TOP2A P11388 5/20 0.43
TOP2B Q02880 5/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9148042 0.90 ADRB2 (0.55) ADRB2TDP1STAT3TOP2ATOP2B
SCHEMBL6783818 0.90 ADRB2 (0.59) ADRB2TDP1STAT3TOP2ATOP2B
SCHEMBL4466378 0.88 ADRB2 (0.53) ADRB2TDP1STAT3TOP2ATOP2B
SCHEMBL116273 0.87 ADRB2 (0.52) ADRB2TDP1TOP2ATOP2BHTT
SCHEMBL8927420 0.86 ADRB2 (0.51) ADRB2TDP1STAT3TOP2ATOP2B
SCHEMBL115991 0.86 ADRB2 (0.62) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL7507103 0.83 ADRB2 (0.55) ADRB2TDP1STAT3TOP2ATOP2B
SCHEMBL12836620 0.83 ADRB2 (0.50) ADRB2TDP1STAT3TOP2ATOP2B
SCHEMBL143295 0.82 TOP2A (0.60) TOP2ATOP2BKMT2AKCNH2KDM4E
SCHEMBL2844967 0.82 ADRB2 (0.68) ADRB2STAT3TOP2ATOP2BHTT

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 6 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
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
EP-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 US 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 (2 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 ADRB2 702/4885TDP1 1100/4885STAT3 4808/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 ADRB2 1777/4885TDP1 4740/4885STAT3 4545/4885

“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.