SCHEMBL142770

SCHEMBL142770

CCOC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCCC1CCC3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.54
KCNH2 Q12809 6/20 0.45
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
OPRM1 P35372 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRD1 P41143 1/20 0.43
STAT3 P40763 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41

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
SCHEMBL115711 1.00 ADRB2 (0.54) ADRB2KCNH2LMNAALDH1A1POLB
SCHEMBL12836927 0.97 ADRB2 (0.53) ADRB2KCNH2LMNAALDH1A1POLB
SCHEMBL12836651 0.90 ADRB2 (0.49) ADRB2KCNH2ALDH1A1POLBOPRM1
SCHEMBL116252 0.89 ADRB2 (0.50) ADRB2KCNH2LMNAALDH1A1POLB
SCHEMBL116234 0.89 ADRB2 (0.50) ADRB2KCNH2LMNAALDH1A1POLB
SCHEMBL115777 0.88 ADRB2 (0.51) ADRB2KCNH2LMNAALDH1A1POLB
SCHEMBL115853 0.88 ADRB2 (0.51) ADRB2KCNH2LMNAALDH1A1POLB
SCHEMBL115954 0.88 ADRB2 (0.51) ADRB2KCNH2LMNAALDH1A1POLB
SCHEMBL116173 0.88 ADRB2 (0.51) ADRB2KCNH2LMNAALDH1A1POLB
SCHEMBL116090 0.88 ADRB2 (0.51) ADRB2KCNH2LMNAALDH1A1POLB

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 1477/4885LMNA 2216/4885

“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.