SCHEMBL5021659

SCHEMBL5021659

CC(C)(C)OC(=O)N[C@H]1CCN(CCn2c(=O)ccc3ncccc32)C[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.42
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KCNA3 P22001 1/20 0.36
SSTR4 P31391 5/20 0.36
SSTR1 P30872 3/20 0.36
RET P07949 4/20 0.36
OPRK1 P41145 1/20 0.35

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
SCHEMBL5021638 0.87 KCNA3 (0.49) KCNH2KCNA3OPRK1
SCHEMBL2686750 0.86 KCNH2 (0.42) KCNH2OPRK1
SCHEMBL2686753 0.86 KCNH2 (0.42) KCNH2OPRK1
SCHEMBL13767495 0.86 KCNH2 (0.47) KCNH2
SCHEMBL5021652 0.86 KCNH2 (0.47) KCNH2
SCHEMBL4299963 0.85 KCNH2 (0.55) KCNH2
SCHEMBL5021669 0.85 KCNH2 (0.55) KCNH2
SCHEMBL4299965 0.85 KCNH2 (0.55) KCNH2
SCHEMBL13767364 0.85 KCNH2 (0.55) KCNH2
SCHEMBL13952453 0.80 KDM4E (0.42) KCNH2KDM4EALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379554-B1 NAPHTHYRIDIN-2(1H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2015-11-11 EP disclosed
US-8318940-B2 Naphthyridin-2 (1 H)-one compounds useful as antibacterials GLAXO GROUP LIMITED (GB) 2012-11-27 US disclosed
US-8318940-B2 Naphthyridin-2 (1 H)-one compounds useful as antibacterials GLAXO GROUP LIMITED (GB) 2012-11-27 US disclosed
US-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2012-05-10 US disclosed
US-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2012-05-10 US disclosed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
WO-2010081874-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed
WO-2009090222-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-07-23 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 (2 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-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS RIF1, MRPL21, NAT1 KCNH2 3252/4885KDM4E 4652/4885ALDH1A1 1221/4885
US-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS NAT1, RIF1, MRPL21 KCNH2 2185/4885KDM4E 4427/4885ALDH1A1 937/4885

“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.