SCHEMBL145012

SCHEMBL145012

CCOC(=O)c1cn(C2CC2)c2c(C#CC[C@@H]3C[C@H](NC(=O)OC(C)(C)C)CN3C(=O)OC(C)(C)C)c(F)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
BTK Q06187 1/20 0.32
JAK1 P23458 4/20 0.32
JAK2 O60674 1/20 0.32
STAT3 P40763 1/20 0.31
CHRM1 P11229 1/20 0.30
BRD4 O60885 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL139825 0.91 ADRB2 (0.44) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL143670 0.91 ADRB2 (0.44) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL140444 0.91 ADRB2 (0.44) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL146240 0.91 ADRB2 (0.44) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL144809 0.84 ADRB2 (0.39) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL143695 0.81 ADRB2 (0.43) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL141300 0.81 ADRB2 (0.43) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL145193 0.81 ADRB2 (0.45) ADRB2KMT2AMEN1BTKSTAT3
SCHEMBL147194 0.81 ADRB2 (0.45) ADRB2KMT2AMEN1BTKSTAT3
SCHEMBL13626250 0.81 ADRB2 (0.47) ADRB2KMT2AMEN1CNR1CNR2

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 702/4885KMT2A 4780/4885MEN1 3668/4885

“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.