SCHEMBL145643

SCHEMBL145643

CCOC(=O)C1CN(C2CC2)c2c(cc(F)c3c2CN(C(=O)OC(C)(C)C)CC2CCCN32)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
TP53 P04637 2/20 0.34
FPR2 P25090 1/20 0.34
DPP4 P27487 1/20 0.33
BTK Q06187 2/20 0.33
USP30 Q70CQ3 1/20 0.33
NTRK1 P04629 1/20 0.33
SCN9A Q15858 2/20 0.33
SPR P35270 1/20 0.32
PIK3CD O00329 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
SCHEMBL116491 0.84 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL115152 0.76 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL116308 0.76 ALDH1A1 (0.35) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL116219 0.75 ADRB2 (0.46) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL116312 0.74 MEN1 (0.33) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL117176 0.70 KCNH2 (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL22724577 0.70 FPR2 (0.41) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL116307 0.70 POLB (0.30) GAAPOLB
SCHEMBL16763628 0.67 FPR2 (0.52) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL16763626 0.67 FPR2 (0.52) KDM4EALDH1A1HPGDHSD17B10GLA

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 KDM4E 2563/4885ALDH1A1 1678/4885HPGD 917/4885

“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.