SCHEMBL5547075

SCHEMBL5547075

CCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
GRIN2B Q13224 12/20 0.38
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GRIN1 Q05586 2/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL5546972 0.99 L3MBTL1 (0.38) L3MBTL1GRIN2BTSHRKDM4ELMNA
SCHEMBL5540519 0.94 GRIN2B (0.41) L3MBTL1GRIN2BLMNACNR2
SCHEMBL5540818 0.93 GRIN2B (0.40) L3MBTL1GRIN2BGRIN1CNR2MEN1
SCHEMBL5538537 0.92 GRIN2B (0.39) L3MBTL1GRIN2BKDM4ELMNAGRIN1
SCHEMBL15163594 0.91 L3MBTL1 (0.41) L3MBTL1GRIN2BKDM4ELMNAGRIN1
SCHEMBL5546881 0.89 GRIN2B (0.41) L3MBTL1GRIN2BKDM4EGRIN1CNR2
SCHEMBL5545657 0.88 GRIN2B (0.41) L3MBTL1GRIN2BKDM4ELMNAGRIN1
SCHEMBL5541014 0.88 L3MBTL1 (0.41) L3MBTL1GRIN2BTSHRKDM4ELMNA
SCHEMBL5546437 0.87 GRIN2B (0.44) L3MBTL1GRIN2BGRIN1CNR2
SCHEMBL5540667 0.87 L3MBTL1 (0.38) L3MBTL1GRIN2BKDM4ELMNAGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US claimed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 L3MBTL1 1411/4885GRIN2B 1400/4885TSHR 4052/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885GRIN2B 4036/4885TSHR 4622/4885

“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.