SCHEMBL3870367

SCHEMBL3870367

C=CCn1c(=O)cnc2cc(OC)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
TSHR P16473 5/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HTT P42858 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
USP2 O75604 2/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL3841716 0.89 NPC1 (0.45) NPC1RAB9AALDH1A1KDM4ETSHR
SCHEMBL31588700 0.83 TDP1 (0.60) NPC1RAB9AALDH1A1KDM4ETSHR
SCHEMBL3862548 0.81 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL4301416 0.81 L3MBTL1 (0.40) NPC1RAB9AALDH1A1KDM4ETSHR
SCHEMBL2686880 0.80 KCNH2 (0.47)
SCHEMBL1602967 0.77 KDM4E (0.59) NPC1RAB9AALDH1A1KDM4ETSHR
SCHEMBL29489063 0.77 KDM4E (0.59) NPC1RAB9AALDH1A1KDM4ETSHR
SCHEMBL30231138 0.77 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL28581906 0.77 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL2796771 0.77 HTR1A (0.44) ALDH1A1KDM4ETSHRHPGDHSD17B10

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
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP disclosed
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 NPC1 389/4885RAB9A 797/4885ALDH1A1 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.