SCHEMBL3866486

SCHEMBL3866486

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
MET P08581 1/20 0.36
HPGDS O60760 1/20 0.36
BMX P51813 1/20 0.35
BTK Q06187 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ACSS2 Q9NR19 2/20 0.34
EGFR P00533 1/20 0.33
FLT3 P36888 1/20 0.33
BLK P51451 1/20 0.33

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
SCHEMBL3839367 0.88 MGAM (0.39) PTGER4ALDH1A1METKDM4EHPGD
SCHEMBL3859458 0.84 ALDH1A1 (0.44) PTGER4ALDH1A1TSHRKDM4EHPGD
SCHEMBL27759454 0.81 NPC1 (0.43) ALDH1A1HPGDSKDM4ENPC1KMT2A
SCHEMBL2687942 0.79 KCNH2 (0.41) ALDH1A1KDM4EHPGD
SCHEMBL3863074 0.75 KDM4E (0.38) PTGER4ALDH1A1KDM4EHPGDMEN1
SCHEMBL2686880 0.75 KCNH2 (0.47)
SCHEMBL3859045 0.73 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EHPGD
SCHEMBL3841716 0.71 NPC1 (0.45) ALDH1A1TSHRKDM4EHPGDMEN1
SCHEMBL2687026 0.71 LMNA (0.42) ALDH1A1TSHRKDM4EHPGDMEN1
SCHEMBL21197902 0.70 BRD4 (0.40) ALDH1A1TSHRKDM4EHPGDMEN1

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 PTGER4 1431/4885ALDH1A1 3885/4885TSHR 3974/4885

“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.