SCHEMBL117394

SCHEMBL117394

NC[C@@H]1CCN2c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3C=CC[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.51
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.49
OPRM1 P35372 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRD1 P41143 1/20 0.49
TOP2A P11388 7/20 0.45
TOP2B Q02880 7/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
PRKD3 O94806 1/20 0.44
ALOX15 P16050 1/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL116272 0.89 ADRB2 (0.47) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL116254 0.89 ALDH1A1 (0.54) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL116084 0.89 ALDH1A1 (0.54) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL116570 0.88 ALDH1A1 (0.50) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL114921 0.88 ALDH1A1 (0.50) KCNH2ALDH1A1POLBOPRM1CHRM2
Trifluoroacetic Acid SCHEMBL141367 0.85 ALDH1A1 (0.50) KCNH2ALDH1A1POLBOPRM1CHRM2
Trifluoroacetic Acid SCHEMBL143057 0.85 ALDH1A1 (0.50) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL12814244 0.83 KCNH2 (0.53) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL114935 0.83 KCNH2 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL117371 0.83 KCNH2 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2

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
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 KCNH2 1477/4885ALDH1A1 1678/4885POLB 455/4885

“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.