SCHEMBL144809

SCHEMBL144809

CCOC(=O)c1cn(C2CC2)c2c(/C=C\C[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 17)

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
JAK1 P23458 4/20 0.32
JAK2 O60674 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
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
SCHEMBL144925 0.91 ADRB2 (0.44) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL144356 0.91 ADRB2 (0.44) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL144893 0.91 ADRB2 (0.44) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL143930 0.91 ADRB2 (0.44) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL145012 0.84 ADRB2 (0.39) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL145460 0.81 ADRB2 (0.43) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL142419 0.81 ADRB2 (0.43) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL13626250 0.81 ADRB2 (0.47) ADRB2KMT2AMEN1CNR1CNR2
SCHEMBL141426 0.81 ADRB2 (0.45) ADRB2KMT2AMEN1TDP1ALDH1A1
SCHEMBL13625890 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.