SCHEMBL4302121

SCHEMBL4302121

COc1cc(F)c2ccc(=O)n(CC=O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
METAP2 P50579 1/20 0.35
KMT2A Q03164 1/20 0.34
PTGER4 P35408 1/20 0.34
DYRK1A Q13627 2/20 0.34
TNFRSF1A P19438 2/20 0.33
HASPIN Q8TF76 2/20 0.33
DYRK2 Q92630 1/20 0.33
TP53 P04637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HCRTR1 O43613 1/20 0.32
ATM Q13315 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
SCHEMBL3859491 0.88 L3MBTL1 (0.42) MAPK14ALDH1A1KDM4EMAPK1HTT
SCHEMBL2795426 0.85 MAPK14 (0.38) MAPK14ALDH1A1KDM4EMAPK1HTT
SCHEMBL10285280 0.84 ALDH1A1 (0.48) MAPK14ALDH1A1KDM4EMAPK1HTT
SCHEMBL10285189 0.84 MAPK14 (0.37) MAPK14ALDH1A1KDM4EMAPK1HTT
SCHEMBL14279585 0.82 ALDH1A1 (0.37) MAPK14ALDH1A1KDM4EMAPK1HTT
SCHEMBL4302142 0.81 MAPK13 (0.32) MAPK14
SCHEMBL2796290 0.80 NR4A2 (0.38) MAPK14ALDH1A1KDM4EKMT2ADYRK1A
SCHEMBL3839427 0.78 KDM4E (0.37) ALDH1A1KDM4EHSD17B10METAP2KMT2A
SCHEMBL2799244 0.77 MAPT (0.50) ALDH1A1KMT2APTGER4TNFRSF1A
SCHEMBL2796905 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EMAPK1HTTHSD17B10

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-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-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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 MAPK14 2719/4885ALDH1A1 3885/4885KDM4E 2078/4885

“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.