SCHEMBL3839427

SCHEMBL3839427

COc1cc(F)cc2c1ccc(=O)n2CC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARK7 Q99497 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
P2RX7 Q99572 1/20 0.33
ADORA1 P30542 1/20 0.33
CBX7 O95931 1/20 0.32
CDYL2 Q8N8U2 1/20 0.32
CDYL Q9Y232 1/20 0.32
CDY1; CDY1B Q9Y6F8 1/20 0.32
TSHR P16473 1/20 0.32
CYP19A1 P11511 1/20 0.31
NQO2 P16083 1/20 0.31

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
SCHEMBL4300939 0.89 ALDH1A1 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3857297 0.88 HCRTR1 (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4302142 0.81 MAPK13 (0.32)
SCHEMBL12000221 0.80 ALDH1A1 (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2800336 0.79 TNFRSF1A (0.43) ALDH1A1
SCHEMBL4302121 0.78 MAPK14 (0.37) KDM4EALDH1A1HSD17B10KMT2AMETAP2
SCHEMBL2799701 0.78 MAT2A (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3858449 0.77 TNFRSF1A (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2795612 0.76 ALDH1A1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL2795426 0.74 MAPK14 (0.38) KDM4EALDH1A1HSD17B10KMT2ATSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ KDM4E 2078/4885ALDH1A1 3885/4885GLA 1451/4885

“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.