SCHEMBL5547085

SCHEMBL5547085

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCSCC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
CNR2 P34972 6/20 0.35
GRIN2B Q13224 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GRIN1 Q05586 2/20 0.34
CNR1 P21554 1/20 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
SCHEMBL5547001 0.96 L3MBTL1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2GAACNR2
SCHEMBL5540818 0.93 GRIN2B (0.40) L3MBTL1ALDH1A1SMN1; SMN2GAACNR2
SCHEMBL5538537 0.92 GRIN2B (0.39) L3MBTL1ALDH1A1SMN1; SMN2GAACNR2
SCHEMBL5540667 0.92 L3MBTL1 (0.38) L3MBTL1ALDH1A1SMN1; SMN2GAACNR2
SCHEMBL5546428 0.91 GRIN2B (0.42) L3MBTL1CNR2GRIN2BKMT2AGRIN1
SCHEMBL5540520 0.89 L3MBTL1 (0.38) L3MBTL1ALDH1A1SMN1; SMN2GAACNR2
SCHEMBL4584216 0.87 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2CNR2GRIN2BMEN1
SCHEMBL5538439 0.87 GRIN2B (0.45) L3MBTL1CNR2GRIN2BMEN1KMT2A
SCHEMBL5547075 0.87 L3MBTL1 (0.39) L3MBTL1CNR2GRIN2BMEN1KMT2A
SCHEMBL5546972 0.86 L3MBTL1 (0.38) L3MBTL1CNR2GRIN2BMEN1KMT2A

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 1411/4885ALDH1A1 3812/4885SMN1; SMN2 4504/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885ALDH1A1 3073/4885SMN1; SMN2 4786/4885

“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.