SCHEMBL116018

SCHEMBL116018

CCOC(=O)c1cn(C2CC2)c2c(/C=C\C[C@H]3CC[C@@H](C)C3)c(F)c(F)cc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.51
STAT3 P40763 1/20 0.42
TOP2A P11388 5/20 0.40
TOP2B Q02880 5/20 0.40
KMT2A Q03164 2/20 0.39
KCNH2 Q12809 4/20 0.39
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PRKD3 O94806 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
CLK2 P49760 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL114719 1.00 ADRB2 (0.51) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL116072 1.00 ADRB2 (0.51) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL114666 1.00 ADRB2 (0.51) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL116398 0.93 ADRB2 (0.51) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL116340 0.92 ADRB2 (0.51) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL117404 0.89 ADRB2 (0.44) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL12825346 0.85 ADRB2 (0.59) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL117335 0.84 ADRB2 (0.51) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL178603 0.83 ADRB2 (0.49) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL178714 0.83 ADRB2 (0.49) ADRB2STAT3TOP2ATOP2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 ADRB2 702/4885STAT3 4808/4885TOP2A 125/4885

“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.