SCHEMBL116508

SCHEMBL116508

CCOC(=O)c1cn(C2CC2)c2c(C#CC[C@H]3CCC[C@H]3O)cc(F)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
STAT3 P40763 1/20 0.37
KCNH2 Q12809 3/20 0.36
TOP2A P11388 4/20 0.35
TOP2B Q02880 4/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL116136 0.86 ADRB2 (0.51) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL117483 0.81 ADRB2 (0.46) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL29802253 0.78 ADRB2 (0.57) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL10716822 0.76 ADRB2 (0.55) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL117335 0.74 ADRB2 (0.51) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL29492858 0.73 ADRB2 (0.68) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL2844967 0.73 ADRB2 (0.68) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL115076 0.72 ADRB2 (0.47) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL114864 0.72 ADRB2 (0.47) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL23037313 0.72 ADRB2 (0.55) ADRB2STAT3KCNH2TOP2ATOP2B

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 4808/4885KCNH2 1477/4885

“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.