SCHEMBL147572

SCHEMBL147572

CCc1c(C(=O)O)c(=O)c2cc(F)c(F)c(CCC[C@@H]3CCCN3C(=O)OC(C)(C)C)c2n1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5AP P20292 3/20 0.35
FEN1 P39748 1/20 0.35
ATM Q13315 2/20 0.34
RIPK1 Q13546 1/20 0.32
APP P05067 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL147571 1.00 MEN1 (0.35) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL141846 0.89 ALOX5AP (0.34) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL1516394 0.85 ALOX5AP (0.34) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL143342 0.84 ALOX5AP (0.35) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL141806 0.84 ALOX5AP (0.35) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL115851 0.79 ADRB2 (0.49) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL142291 0.78 KDM4E (0.33) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL142290 0.78 KDM4E (0.33) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL142409 0.76 GSK3B (0.37) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL144916 0.75 TOP2A (0.31) KDM4EALDH1A1HPGDHSD17B10PIM1

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
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP 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 MEN1 3668/4885KMT2A 4780/4885KDM4E 2563/4885

“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.