SCHEMBL5540520

SCHEMBL5540520

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CC(O)C2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
GRIN2B Q13224 5/20 0.37
CNR2 P34972 4/20 0.36
GRIN1 Q05586 1/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TLR2 O60603 2/20 0.34

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
SCHEMBL5540818 0.91 GRIN2B (0.40) L3MBTL1GRIN2BCNR2GRIN1ALDH1A1
SCHEMBL5538537 0.90 GRIN2B (0.39) L3MBTL1GRIN2BCNR2GRIN1ALDH1A1
SCHEMBL5540667 0.89 L3MBTL1 (0.38) L3MBTL1GRIN2BCNR2GRIN1CNR1
SCHEMBL5546428 0.89 GRIN2B (0.42) L3MBTL1GRIN2BCNR2GRIN1CNR1
SCHEMBL5547085 0.89 L3MBTL1 (0.37) L3MBTL1GRIN2BCNR2GRIN1CNR1
SCHEMBL5547001 0.87 L3MBTL1 (0.36) L3MBTL1GRIN2BCNR2GRIN1CNR1
SCHEMBL5538439 0.87 GRIN2B (0.45) L3MBTL1GRIN2BCNR2GRIN1MEN1
SCHEMBL4584216 0.87 L3MBTL1 (0.44) L3MBTL1GRIN2BCNR2GRIN1SMN1; SMN2
SCHEMBL5547133 0.86 L3MBTL1 (0.41) L3MBTL1GRIN2BCNR2GRIN1MEN1
SCHEMBL5545538 0.86 L3MBTL1 (0.41) L3MBTL1GRIN2BCNR2GRIN1ALDH1A1

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 4 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

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