SCHEMBL142928

SCHEMBL142928

CCOC(=O)c1cn(C2CC2)c2c(/C=C\CC3CCCN3)c(F)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
STAT3 P40763 1/20 0.41
TOP2A P11388 5/20 0.39
TOP2B Q02880 5/20 0.39
KCNH2 Q12809 3/20 0.39
POLB P06746 1/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.36
CASP1 P29466 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
SCHEMBL178577 1.00 ADRB2 (0.50) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12836926 0.92 ADRB2 (0.49) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL178574 0.87 ADRB2 (0.49) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL178603 0.87 ADRB2 (0.49) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL178635 0.87 ADRB2 (0.49) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL178714 0.87 ADRB2 (0.49) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10286995 0.85 ADRB2 (0.47) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL145111 0.85 ADRB2 (0.47) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1461799 0.85 ADRB2 (0.44) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL117335 0.85 ADRB2 (0.51) ADRB2KDM4EALDH1A1HPGDHSD17B10

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 702/4885KDM4E 2563/4885ALDH1A1 1678/4885

“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.