SCHEMBL5543265

SCHEMBL5543265

CCCNC(=O)Cn1c(=O)c(C(=O)NCCOC)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.43
GRIN1 Q05586 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5538439 0.97 GRIN2B (0.45) GRIN2BGRIN1L3MBTL1TP53KDM4E
SCHEMBL5545763 0.94 L3MBTL1 (0.42) GRIN2BGRIN1L3MBTL1TP53KDM4E
SCHEMBL5547220 0.93 GRIN2B (0.44) GRIN2BGRIN1L3MBTL1TP53KDM4E
SCHEMBL5547133 0.93 L3MBTL1 (0.41) GRIN2BGRIN1L3MBTL1TP53KDM4E
SCHEMBL5540799 0.91 MAPT (0.43) GRIN2BGRIN1L3MBTL1TP53KDM4E
SCHEMBL5546671 0.91 L3MBTL1 (0.42) GRIN2BGRIN1L3MBTL1KDM4EF2
SCHEMBL5545653 0.91 GRIN2B (0.40) GRIN2BGRIN1L3MBTL1TP53KDM4E
SCHEMBL5545301 0.90 KDM4E (0.47) GRIN2BGRIN1L3MBTL1TP53KDM4E
SCHEMBL4585532 0.90 GRIN2B (0.41) GRIN2BGRIN1L3MBTL1TP53KDM4E
SCHEMBL4584216 0.90 L3MBTL1 (0.44) GRIN2BGRIN1L3MBTL1KDM4EMEN1

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 1400/4885GRIN1 1445/4885L3MBTL1 1411/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 GRIN2B 4036/4885GRIN1 3219/4885L3MBTL1 1408/4885

“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.