SCHEMBL5540535

SCHEMBL5540535

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.40
GSK3B P49841 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
EGLN1 Q9GZT9 3/20 0.38
TLR2 O60603 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.37
NLRP3 Q96P20 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL5545339 0.95 HIF1A (0.41) HIF1AGSK3BL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5546723 0.90 L3MBTL1 (0.38) HIF1AGSK3BL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5540555 0.89 HIF1A (0.41) HIF1AGSK3BL3MBTL1CNR1CNR2
SCHEMBL5547046 0.87 GSK3B (0.42) HIF1AGSK3BL3MBTL1ALDH1A1CNR1
SCHEMBL5545371 0.87 HIF1A (0.47) HIF1AGSK3BL3MBTL1ALDH1A1EGLN1
SCHEMBL5546984 0.87 CNR2 (0.41) HIF1AGSK3BL3MBTL1ALDH1A1CNR1
SCHEMBL5540750 0.86 L3MBTL1 (0.41) HIF1AGSK3BL3MBTL1ALDH1A1CNR1
SCHEMBL5548090 0.86 L3MBTL1 (0.42) L3MBTL1ALDH1A1SMN1; SMN2CNR2KDM4E
SCHEMBL5538979 0.86 MEN1 (0.48) HIF1AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5543295 0.85 GRIN2B (0.40) L3MBTL1ALDH1A1SMN1; SMN2CNR1CNR2

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 3928/4885GSK3B 2347/4885L3MBTL1 1411/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 HIF1A 3112/4885GSK3B 461/4885L3MBTL1 1408/4885

“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.