SCHEMBL144206

SCHEMBL144206

CCOC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@H]1CN=C3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
KCNH2 Q12809 6/20 0.38
TOP2A P11388 2/20 0.37
TOP2B Q02880 2/20 0.37
KDM4E B2RXH2 4/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
OPRM1 P35372 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRD1 P41143 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36
PRKD3 O94806 1/20 0.35
ALOX15 P16050 1/20 0.35
CLK2 P49760 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL116297 0.86 ADRB2 (0.48) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL143593 0.86 ADRB2 (0.46) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL142995 0.83 ADRB2 (0.46) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL142392 0.83 ADRB2 (0.46) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL114810 0.82 ADRB2 (0.49) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL141100 0.80 ADRB2 (0.47) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL145095 0.79 ADRB2 (0.46) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL115956 0.79 ADRB2 (0.48) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL12825582 0.79 ADRB2 (0.44) ADRB2KCNH2KDM4EATMALDH1A1
SCHEMBL10407250 0.76 ADRB2 (0.56) ADRB2KCNH2TOP2ATOP2BKDM4E

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 702/4885KCNH2 1477/4885TOP2A 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.