SCHEMBL115956

SCHEMBL115956

CCOC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1C[C@@H](C)C[C@H]1CN=C3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
KCNH2 Q12809 6/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
OPRM1 P35372 2/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
CLK2 P49760 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRD1 P41143 1/20 0.40
STAT3 P40763 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL114810 0.87 ADRB2 (0.49) ADRB2KCNH2ALDH1A1KDM4EHPGD
SCHEMBL143593 0.86 ADRB2 (0.46) ADRB2KCNH2ALDH1A1KDM4EHPGD
SCHEMBL116297 0.85 ADRB2 (0.48) ADRB2KCNH2ALDH1A1KDM4EHPGD
SCHEMBL115954 0.82 ADRB2 (0.51) ADRB2KCNH2ALDH1A1KDM4EHPGD
SCHEMBL114488 0.81 ADRB2 (0.49) ADRB2KCNH2ALDH1A1KDM4EHPGD
SCHEMBL117111 0.81 ADRB2 (0.49) ADRB2KCNH2ALDH1A1KDM4EHPGD
SCHEMBL115959 0.81 ADRB2 (0.48) ADRB2KCNH2ALDH1A1KDM4EHPGD
SCHEMBL116929 0.80 ALDH1A1 (0.55) KCNH2ALDH1A1KDM4EHPGDPOLB
SCHEMBL144206 0.79 ADRB2 (0.46) ADRB2KCNH2ALDH1A1KDM4EHPGD
SCHEMBL117028 0.78 ADRB2 (0.49) ADRB2KCNH2ALDH1A1KDM4EHPGD

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 1477/4885ALDH1A1 1678/4885

“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.