SCHEMBL3839367

SCHEMBL3839367

C=CCn1c(=O)ccc2ncc(C(=O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HCAR3 P49019 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FGFR1 P11362 1/20 0.37
MET P08581 1/20 0.35
HRH1 P35367 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PLA2G4A P47712 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
PTGER4 P35408 1/20 0.34

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
SCHEMBL3866486 0.88 PTGER4 (0.38) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3859458 0.85 ALDH1A1 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL27759465 0.80 ALDH1A1 (0.42) MGAMKDM4EALDH1A1HPGDHCAR3
SCHEMBL2687942 0.80 KCNH2 (0.41) KDM4EALDH1A1HPGDTDP1LMNA
SCHEMBL3863074 0.76 KDM4E (0.38) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2686880 0.76 KCNH2 (0.47)
SCHEMBL3859045 0.74 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTDP1LMNA
SCHEMBL27780823 0.72 MGAM (0.40) MGAMKDM4EALDH1A1HPGDHCAR3
SCHEMBL3841716 0.72 NPC1 (0.45) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2687026 0.72 LMNA (0.42) KDM4EALDH1A1HPGDMEN1KMT2A

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 MGAM 1258/4885KDM4E 2078/4885ALDH1A1 3885/4885

“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.