SCHEMBL5538571

SCHEMBL5538571

CC(C)(CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
GRIN2B Q13224 11/20 0.39
CNR2 P34972 5/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN1 Q05586 2/20 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
SCHEMBL16991725 0.89 CNR2 (0.46) L3MBTL1CNR2MEN1KMT2A
SCHEMBL5546881 0.89 GRIN2B (0.41) L3MBTL1GRIN2BCNR2MEN1KMT2A
SCHEMBL5546437 0.89 GRIN2B (0.44) L3MBTL1GRIN2BCNR2GRIN1
SCHEMBL5545657 0.88 GRIN2B (0.41) L3MBTL1GRIN2BCNR2GRIN1
SCHEMBL15163594 0.88 L3MBTL1 (0.41) L3MBTL1GRIN2BCNR2MEN1KMT2A
SCHEMBL5541038 0.88 GRIN2B (0.40) L3MBTL1GRIN2BCNR2MEN1KMT2A
SCHEMBL5541242 0.88 L3MBTL1 (0.41) L3MBTL1GRIN2BCNR2MEN1KMT2A
SCHEMBL5538780 0.87 CNR2 (0.42) L3MBTL1CNR2MEN1KMT2A
SCHEMBL5547340 0.87 GRIN2B (0.40) L3MBTL1GRIN2BCNR2MEN1KMT2A
SCHEMBL5540818 0.87 GRIN2B (0.40) L3MBTL1GRIN2BCNR2MEN1KMT2A

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 3 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 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 (1 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 1400/4885CNR2 3954/4885

“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.