SCHEMBL3859458

SCHEMBL3859458

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.41
PTGER4 P35408 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
GRK6 P43250 1/20 0.40
ACSS2 Q9NR19 1/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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 0.85 MGAM (0.39) ALDH1A1MEN1KMT2AALOX15PTGER4
SCHEMBL3866486 0.84 PTGER4 (0.38) ALDH1A1MEN1KMT2APTGER4KDM4E
SCHEMBL27759457 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL2686880 0.80 KCNH2 (0.47)
SCHEMBL3841716 0.76 NPC1 (0.45) ALDH1A1MEN1KMT2AALOX15KDM4E
SCHEMBL2687942 0.76 KCNH2 (0.41) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL3863074 0.73 KDM4E (0.38) ALDH1A1MEN1KMT2APTGER4KDM4E
SCHEMBL474587 0.72 MAPT (0.48) ALDH1A1MEN1KMT2AALOX15PTGER4
SCHEMBL14358516 0.71 MEN1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL3859045 0.70 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10LMNAMAPT

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 ALDH1A1 3885/4885MEN1 3474/4885KMT2A 2825/4885

“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.