SCHEMBL5546775

SCHEMBL5546775

CC(C)OCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 6/20 0.38
GRIN2B Q13224 3/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NAMPT P43490 1/20 0.34
CNR1 P21554 1/20 0.33
P2RX3 P56373 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL4586053 0.93 L3MBTL1 (0.40) L3MBTL1CNR2GRIN2BKMT2AMEN1
SCHEMBL5541014 0.91 L3MBTL1 (0.41) L3MBTL1CNR2GRIN2BKMT2AMEN1
SCHEMBL5538539 0.90 L3MBTL1 (0.38) L3MBTL1CNR2GRIN2BKMT2AMEN1
SCHEMBL5546841 0.90 L3MBTL1 (0.40) L3MBTL1CNR2GRIN2BKMT2AMEN1
SCHEMBL5541008 0.90 L3MBTL1 (0.41) L3MBTL1CNR2GRIN2BKMT2AMEN1
SCHEMBL4760442 0.89 L3MBTL1 (0.41) L3MBTL1CNR2GRIN2BKMT2AMEN1
SCHEMBL5540909 0.89 L3MBTL1 (0.41) L3MBTL1CNR2GRIN2BKMT2AMEN1
SCHEMBL16991731 0.89 L3MBTL1 (0.41) L3MBTL1CNR2GRIN2BKMT2AMEN1
SCHEMBL5538501 0.88 KDM4E (0.43) L3MBTL1CNR2GRIN2BKMT2AMEN1
SCHEMBL5548089 0.87 L3MBTL1 (0.40) L3MBTL1CNR2KMT2AMEN1LMNA

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 1411/4885CNR2 3954/4885GRIN2B 1400/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885CNR2 4810/4885GRIN2B 4036/4885

“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.