SCHEMBL116011

SCHEMBL116011

N[C@H]1C[C@@H]2CCOc3c(c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c34)N2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
POLB P06746 3/20 0.56
OPRM1 P35372 2/20 0.56
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
OPRD1 P41143 1/20 0.56
KCNH2 Q12809 5/20 0.49
AADAT Q8N5Z0 2/20 0.49
KDM4E B2RXH2 5/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALB P02768 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TOP2A P11388 5/20 0.47
TOP2B Q02880 5/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47

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
SCHEMBL117484 1.00 ALDH1A1 (0.56) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10424572 0.92 ALDH1A1 (0.57) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL116928 0.89 KCNH2 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL116033 0.88 ADRB2 (0.49) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL115248 0.84 AADAT (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL12812917 0.84 ALDH1A1 (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL117032 0.83 ALDH1A1 (0.57) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL115947 0.83 ALDH1A1 (0.57) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL12825263 0.83 AADAT (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL117073 0.83 ALDH1A1 (0.57) ALDH1A1POLBOPRM1CHRM2CHRM1

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 3 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
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 ALDH1A1 1678/4885POLB 455/4885OPRM1 1028/4885

“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.