SCHEMBL5545339

SCHEMBL5545339

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 4/20 0.39
CNR1 P21554 1/20 0.39
TLR2 O60603 3/20 0.39
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GRIN2B Q13224 3/20 0.36
GRIN1 Q05586 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK10 P53779 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 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
SCHEMBL5540535 0.95 HIF1A (0.40) HIF1AL3MBTL1CNR2CNR1TLR2
SCHEMBL5546723 0.95 L3MBTL1 (0.38) HIF1AL3MBTL1CNR2CNR1TLR2
SCHEMBL5545371 0.92 HIF1A (0.47) HIF1AL3MBTL1GSK3BALDH1A1MEN1
SCHEMBL5540555 0.91 HIF1A (0.41) HIF1AL3MBTL1CNR2CNR1TLR2
SCHEMBL5543295 0.90 GRIN2B (0.40) L3MBTL1CNR2CNR1ALDH1A1GAA
SCHEMBL5546984 0.90 CNR2 (0.41) HIF1AL3MBTL1CNR2CNR1TLR2
SCHEMBL5547423 0.89 TSHR (0.42) HIF1AALDH1A1GAASMN1; SMN2MEN1
SCHEMBL5545366 0.89 L3MBTL1 (0.43) HIF1AL3MBTL1CNR2ALDH1A1GAA
SCHEMBL5547046 0.89 GSK3B (0.42) HIF1AL3MBTL1CNR2CNR1TLR2
SCHEMBL5543036 0.88 GRIN2B (0.42) HIF1AL3MBTL1SMN1; SMN2GRIN2BLMNA

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 4 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

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 HIF1A 3928/4885L3MBTL1 1411/4885CNR2 3954/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 HIF1A 3112/4885L3MBTL1 1408/4885CNR2 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.