SCHEMBL5541014

SCHEMBL5541014

CCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
GRIN2B Q13224 4/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ASAH1 Q13510 1/20 0.35
CNR2 P34972 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR1 P21554 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL5546841 0.95 L3MBTL1 (0.40) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL5538539 0.94 L3MBTL1 (0.38) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL4586053 0.94 L3MBTL1 (0.40) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL5540991 0.92 L3MBTL1 (0.38) L3MBTL1GRIN2BMEN1KMT2AASAH1
SCHEMBL5546775 0.91 L3MBTL1 (0.39) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL5538529 0.91 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AASAH1CNR2
SCHEMBL5541008 0.90 L3MBTL1 (0.41) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL4760442 0.90 L3MBTL1 (0.41) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL5538501 0.89 KDM4E (0.43) L3MBTL1GRIN2BMEN1KMT2ACNR2
SCHEMBL5546739 0.89 L3MBTL1 (0.38) L3MBTL1MEN1KMT2ALMNAHTT

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 1411/4885GRIN2B 1400/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885GRIN2B 4036/4885MEN1 4837/4885

“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.