SCHEMBL5541259

SCHEMBL5541259

C[C@@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CNR2 P34972 4/20 0.43
HIF1A Q16665 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
EGLN1 Q9GZT9 2/20 0.36
DGAT2 Q96PD7 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL5546997 1.00 MEN1 (0.46) MEN1KMT2ACNR2HIF1AL3MBTL1
SCHEMBL16991727 1.00 MEN1 (0.46) MEN1KMT2ACNR2HIF1AL3MBTL1
SCHEMBL5541030 0.89 L3MBTL1 (0.47) MEN1KMT2ACNR2L3MBTL1EGLN1
SCHEMBL5538524 0.89 L3MBTL1 (0.47) MEN1KMT2ACNR2L3MBTL1EGLN1
SCHEMBL5545864 0.89 L3MBTL1 (0.47) MEN1KMT2ACNR2L3MBTL1EGLN1
SCHEMBL5543099 0.89 CNR2 (0.42) MEN1KMT2ACNR2L3MBTL1EGLN1
SCHEMBL5541070 0.89 CNR2 (0.38) MEN1KMT2ACNR2HIF1AEGLN1
SCHEMBL5545286 0.89 CNR2 (0.44) MEN1KMT2ACNR2L3MBTL1EGLN1
SCHEMBL5540538 0.89 CNR2 (0.46) MEN1KMT2ACNR2L3MBTL1EGLN1
SCHEMBL5545513 0.87 MEN1 (0.51) MEN1KMT2ACNR2HIF1AL3MBTL1

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 MEN1 4802/4885KMT2A 502/4885CNR2 3954/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MEN1 4837/4885KMT2A 819/4885CNR2 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.