SCHEMBL7122447

SCHEMBL7122447

CC(C)Cc1c(OC#CC2CC2)c2cc(F)ccc2[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 3/20 0.33
BRD3 Q15059 2/20 0.33
MPO P05164 1/20 0.32
CTSK P43235 1/20 0.32
CTSC P53634 1/20 0.32
PADI4 Q9UM07 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
GSK3B P49841 1/20 0.32
GHSR Q92847 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25C P30307 1/20 0.31
MEN1 O00255 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
SCHEMBL7114324 0.89 MPO (0.37) KEAP1NFE2L2PARP1KDM4EMPO
SCHEMBL7121250 0.86 TSHR (0.41) KEAP1NFE2L2PARP1KDM4EMPO
SCHEMBL7114083 0.85 KDM4E (0.36) KEAP1NFE2L2PARP1KDM4EBRD3
SCHEMBL7120967 0.74 SIRT1 (0.42) KDM4EALDH1A1HTTGSK3BMEN1
SCHEMBL7124017 0.72 KDM4E (0.46) KEAP1NFE2L2KDM4EALDH1A1GSK3B
SCHEMBL7116752 0.72 SIRT1 (0.40) PARP1KDM4EALDH1A1GAAGSK3B
SCHEMBL7549488 0.71 TNKS (0.32) PARP1
SCHEMBL7118690 0.68 MEN1 (0.40) KDM4EALDH1A1GAAGSK3BMEN1
SCHEMBL7116235 0.68 MPO (0.37) KEAP1NFE2L2PARP1KDM4EMPO
SCHEMBL7119334 0.67 HSD17B10 (0.45) KEAP1NFE2L2PARP1KDM4EMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069271-A1 Quinolone compounds for use in treating viral infections SMITHKLINE BEECHAM CORPORATION 2003-04-10 US claimed
EP-1244629-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2002-10-02 EP claimed
WO-2001046150-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2001-06-28 WO claimed
US-20030069271-A1 Quinolone compounds for use in treating viral infections SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
EP-1244629-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2002-10-02 EP disclosed
WO-2001046150-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2001-06-28 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-20030069271-A1 Quinolone compounds for use in treating viral infections IRF3, MAVS, NQO2 KEAP1 410/4885NFE2L2 1204/4885PARP1 854/4885

“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.