SCHEMBL4584216

SCHEMBL4584216

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GRIN2B Q13224 4/20 0.39
HIF1A Q16665 1/20 0.39
GRIN1 Q05586 3/20 0.37
CNR2 P34972 1/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGLN1 Q9GZT9 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL5538439 0.93 GRIN2B (0.45) L3MBTL1MEN1KMT2AGRIN2BGRIN1
SCHEMBL5545538 0.92 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AGRIN2BGRIN1
SCHEMBL5547133 0.92 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AGRIN2BGRIN1
SCHEMBL5545366 0.91 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AGRIN2BHIF1A
SCHEMBL5545763 0.91 L3MBTL1 (0.42) L3MBTL1MEN1KMT2AGRIN2BGRIN1
SCHEMBL4586053 0.91 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AGRIN2BGRIN1
SCHEMBL5545417 0.91 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AGRIN2BHIF1A
SCHEMBL5543265 0.90 GRIN2B (0.43) L3MBTL1MEN1KMT2AGRIN2BGRIN1
SCHEMBL5545301 0.90 KDM4E (0.47) L3MBTL1MEN1KMT2AGRIN2BGRIN1
SCHEMBL5548090 0.90 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ACNR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1910355-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
WO-2007019100-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007019100-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (3 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 1411/4885MEN1 4802/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885MEN1 4837/4885KMT2A 819/4885
US-20080194523-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 L3MBTL1 1372/4885MEN1 4832/4885KMT2A 816/4885

“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.