SCHEMBL5539175

SCHEMBL5539175

O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ccncc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.42
HIF1A Q16665 1/20 0.41
CNR1 P21554 1/20 0.41
EGLN1 Q9GZT9 5/20 0.40
EGLN3 Q9H6Z9 2/20 0.40
EGLN2 Q96KS0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIK3CA P42336 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
SCHEMBL5541062 0.91 KDM4E (0.44) CNR2CNR1EGLN1L3MBTL1LMNA
SCHEMBL5545372 0.89 CNR2 (0.45) CNR2HIF1ACNR1EGLN1EGLN3
SCHEMBL5540664 0.88 EGLN1 (0.44) CNR2CNR1EGLN1L3MBTL1MEN1
SCHEMBL5540865 0.88 MAPT (0.43) CNR2HIF1ACNR1EGLN1L3MBTL1
SCHEMBL5539033 0.88 L3MBTL1 (0.43) CNR2HIF1ACNR1L3MBTL1GPR52
SCHEMBL5540762 0.88 CNR2 (0.41) CNR2CNR1EGLN1L3MBTL1MAPT
SCHEMBL5546779 0.88 L3MBTL1 (0.53) L3MBTL1GPR52LMNATSHRSMN1; SMN2
SCHEMBL5546547 0.87 ALDH1A1 (0.43) CNR2CNR1EGLN3L3MBTL1GPR52
SCHEMBL5545559 0.87 L3MBTL1 (0.41) CNR2L3MBTL1GPR52USP2LMNA
SCHEMBL5545901 0.87 L3MBTL1 (0.38) CNR2CNR1EGLN3L3MBTL1GPR52

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 CNR2 3954/4885HIF1A 3928/4885CNR1 4053/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885HIF1A 3112/4885CNR1 4670/4885

“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.