SCHEMBL178573

SCHEMBL178573

CCOC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1C[C@@H](C#N)C[C@@H]1CCO3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
STAT3 P40763 1/20 0.43
KCNH2 Q12809 6/20 0.41
KDM4E B2RXH2 6/20 0.39
HPGD P15428 5/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 5/20 0.38
POLB P06746 3/20 0.38
OPRM1 P35372 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRD1 P41143 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38

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
SCHEMBL114488 0.89 ADRB2 (0.49) ADRB2STAT3KCNH2KDM4EHPGD
SCHEMBL115998 0.89 ADRB2 (0.49) ADRB2STAT3KCNH2KDM4EHPGD
SCHEMBL116033 0.89 ADRB2 (0.49) ADRB2STAT3KCNH2KDM4EHPGD
SCHEMBL116076 0.87 KCNH2 (0.48) ADRB2STAT3KCNH2KDM4EHPGD
SCHEMBL116071 0.86 ADRB2 (0.46) ADRB2STAT3KCNH2KDM4EHPGD
SCHEMBL13625774 0.84 ADRB2 (0.45) ADRB2STAT3KCNH2KDM4EHPGD
SCHEMBL13625711 0.84 ADRB2 (0.50) ADRB2STAT3KCNH2KDM4EHPGD
SCHEMBL12825262 0.83 ADRB2 (0.49) ADRB2STAT3KCNH2KDM4EHPGD
SCHEMBL12825615 0.81 ADRB2 (0.48) ADRB2STAT3KCNH2KDM4EHPGD
SCHEMBL12836885 0.80 ADRB2 (0.48) ADRB2STAT3KCNH2KDM4EHPGD

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 702/4885STAT3 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.