SCHEMBL5545482

SCHEMBL5545482

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC2CC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 5/20 0.38
F2 P00734 2/20 0.38
CNR1 P21554 1/20 0.38
TLR2 O60603 2/20 0.36
AVPR1B P47901 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
BRD4 O60885 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
SCHEMBL5543295 0.91 GRIN2B (0.40) GRIN2BL3MBTL1CNR2F2CNR1
SCHEMBL5545873 0.89 L3MBTL1 (0.43) GRIN2BL3MBTL1CNR2F2CNR1
SCHEMBL5545426 0.89 L3MBTL1 (0.42) GRIN2BL3MBTL1CNR2CNR1KMT2A
SCHEMBL5541201 0.88 CNR2 (0.46) GRIN2BCNR2CNR1BRD4
SCHEMBL5547046 0.88 GSK3B (0.42) L3MBTL1CNR2CNR1TLR2KMT2A
SCHEMBL5546671 0.87 L3MBTL1 (0.42) GRIN2BL3MBTL1CNR2F2CNR1
SCHEMBL5545368 0.86 L3MBTL1 (0.40) L3MBTL1CNR2F2CNR1KMT2A
SCHEMBL5547220 0.86 GRIN2B (0.44) GRIN2BL3MBTL1CNR2F2KMT2A
SCHEMBL5539138 0.85 MAPT (0.46) GRIN2BL3MBTL1CNR2F2CNR1
SCHEMBL5547445 0.85 L3MBTL1 (0.44) L3MBTL1CNR2CNR1KMT2AMEN1

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

“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.