SCHEMBL178720

SCHEMBL178720

CCOC(=O)c1cn(C2CC2)c2c(C[C@@H]3CCCN3C(=O)OC(C)(C)C)c(F)c(F)cc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.49
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
STAT3 P40763 1/20 0.40
KCNH2 Q12809 3/20 0.39
TOP2A P11388 5/20 0.38
TOP2B Q02880 5/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 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
SCHEMBL115851 0.92 ADRB2 (0.49) ADRB2MEN1KMT2ASTAT3KCNH2
SCHEMBL116185 0.90 ADRB2 (0.46) ADRB2MEN1KMT2ASTAT3KCNH2
SCHEMBL115849 0.86 ADRB2 (0.46) ADRB2MEN1KMT2ASTAT3KCNH2
SCHEMBL13625783 0.86 ADRB2 (0.46) ADRB2MEN1KMT2ASTAT3KCNH2
SCHEMBL141805 0.86 ADRB2 (0.46) ADRB2MEN1KMT2ASTAT3KCNH2
SCHEMBL13626250 0.85 ADRB2 (0.47) ADRB2MEN1KMT2ASTAT3KCNH2
SCHEMBL1516391 0.85 ADRB2 (0.45) ADRB2MEN1KMT2ASTAT3KCNH2
SCHEMBL13625786 0.85 ADRB2 (0.47) ADRB2MEN1KMT2ASTAT3KCNH2
SCHEMBL13625890 0.85 ADRB2 (0.47) ADRB2MEN1KMT2ASTAT3KCNH2
SCHEMBL115767 0.81 ADRB2 (0.48) ADRB2MEN1KMT2ASTAT3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO 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 702/4885MEN1 3668/4885KMT2A 4780/4885

“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.