SCHEMBL3857728

SCHEMBL3857728

COc1ccc2nnc(=O)n(CCN3CCC(NC(=O)O)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.52
KCNQ1 P51787 1/20 0.43
CACNA1C Q13936 1/20 0.43
LMNA P02545 1/20 0.43
AVPR1B P47901 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL920361 0.86 KCNH2 (0.62) KCNH2KCNQ1CACNA1C
SCHEMBL923322 0.85 KCNH2 (0.51) KCNH2KCNQ1CACNA1CAVPR1BKDM4E
SCHEMBL923788 0.85 CNR2 (0.43) KCNH2CNR2
Hydrochloric Acid SCHEMBL4298769 0.83 KCNH2 (0.45) KCNH2KCNQ1CACNA1C
SCHEMBL2688408 0.82 KCNH2 (0.71) KCNH2
SCHEMBL922760 0.81 KCNH2 (0.58) KCNH2
SCHEMBL11968772 0.79 KCNH2 (0.61) KCNH2KDM4EALDH1A1CNR1CNR2
SCHEMBL921174 0.78 CNR2 (0.46) KCNH2CNR1CNR2POLB
SCHEMBL4299493 0.76 KCNH2 (0.82) KCNH2KCNQ1CACNA1C
SCHEMBL9957833 0.76 KCNH2 (0.49) KCNH2AVPR1BCNR1CNR2POLB

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 KCNH2 2142/4885KCNQ1 297/4885CACNA1C 4176/4885

“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.