SCHEMBL5540883

SCHEMBL5540883

Cn1c(=O)c(C(=O)NCC(O)CO)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HIF1A Q16665 8/20 0.42
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK14 Q16539 1/20 0.38
TSHR P16473 1/20 0.37
CNR2 P34972 1/20 0.37
GPR52 Q9Y2T5 1/20 0.36

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
SCHEMBL5546008 1.00 MEN1 (0.48) MEN1KMT2AHIF1AEGFRSRC
SCHEMBL5545818 1.00 MEN1 (0.48) MEN1KMT2AHIF1AEGFRSRC
SCHEMBL5547282 0.92 MEN1 (0.51) MEN1KMT2AHIF1AL3MBTL1NPC1
SCHEMBL5547387 0.90 MEN1 (0.51) MEN1KMT2AHIF1AL3MBTL1NPC1
SCHEMBL5545539 0.90 MEN1 (0.41) MEN1KMT2AHIF1AEGFRSRC
Gsk-364735 SCHEMBL5545304 0.87 KDM4E (0.53) MEN1KMT2AHIF1AL3MBTL1NPC1
SCHEMBL5546689 0.87 MEN1 (0.56) MEN1KMT2AHIF1AL3MBTL1NPC1
Gsk-364735 SCHEMBL5545803 0.86 KDM4E (0.52) MEN1KMT2AHIF1AL3MBTL1NPC1
SCHEMBL5545664 0.86 TLR2 (0.40) MEN1KMT2AL3MBTL1MAPK14CNR2
SCHEMBL5541103 0.86 TLR2 (0.40) MEN1KMT2AL3MBTL1MAPK14CNR2

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 MEN1 4802/4885KMT2A 502/4885HIF1A 3928/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MEN1 4837/4885KMT2A 819/4885HIF1A 3112/4885

“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.