SCHEMBL5543237

SCHEMBL5543237

CN(C)C(=O)N(C)CCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
GPR52 Q9Y2T5 1/20 0.35
CNR2 P34972 3/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
TLR2 O60603 2/20 0.34
CNR1 P21554 1/20 0.34
HTT P42858 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
SCHEMBL15163635 0.93 L3MBTL1 (0.41) L3MBTL1KDM4EMEN1KMT2AGPR52
SCHEMBL5541130 0.93 L3MBTL1 (0.40) L3MBTL1KDM4EMEN1KMT2AGPR52
Monoethanolamine SCHEMBL5546461 0.90 L3MBTL1 (0.39) L3MBTL1KDM4EMEN1KMT2AGPR52
SCHEMBL5540796 0.90 L3MBTL1 (0.41) L3MBTL1KDM4EMEN1KMT2AGPR52
SCHEMBL5539033 0.88 L3MBTL1 (0.43) L3MBTL1KDM4EMEN1KMT2AGPR52
SCHEMBL5546979 0.88 L3MBTL1 (0.40) L3MBTL1KDM4EMEN1KMT2AGPR52
SCHEMBL5541008 0.87 L3MBTL1 (0.41) L3MBTL1KDM4EMEN1KMT2AGPR52
SCHEMBL5538465 0.87 L3MBTL1 (0.42) L3MBTL1KDM4EMEN1KMT2AGPR52
SCHEMBL16009823 0.87 GRIN2B (0.33) L3MBTL1MEN1KMT2ACNR2HTT
SCHEMBL5545559 0.87 L3MBTL1 (0.41) L3MBTL1KDM4EMEN1KMT2AGPR52

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 9 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
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 L3MBTL1 1411/4885KDM4E 1268/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885KDM4E 1255/4885MEN1 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.