SCHEMBL5546723

SCHEMBL5546723

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CCNCC2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 6/20 0.37
CNR1 P21554 1/20 0.37
TP53 P04637 1/20 0.37
TLR2 O60603 2/20 0.37
HIF1A Q16665 1/20 0.37
FEN1 P39748 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GSK3B P49841 1/20 0.34

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) L3MBTL1CNR2CNR1TLR2HIF1A
SCHEMBL5548068 0.92 FEN1 (0.37) L3MBTL1CNR2CNR1TLR2HIF1A
SCHEMBL5540535 0.90 HIF1A (0.40) L3MBTL1CNR2CNR1TP53TLR2
SCHEMBL5545904 0.90 BRD4 (0.42) L3MBTL1CNR2CNR1TLR2HIF1A
SCHEMBL5540584 0.87 CNR2 (0.47) CNR2CNR1
SCHEMBL5545371 0.86 HIF1A (0.47) L3MBTL1HIF1AALDH1A1MEN1KMT2A
SCHEMBL5547423 0.86 TSHR (0.42) HIF1AFEN1ALDH1A1GAASMN1; SMN2
SCHEMBL5540555 0.86 HIF1A (0.41) L3MBTL1CNR2CNR1TLR2HIF1A
SCHEMBL5545366 0.85 L3MBTL1 (0.43) L3MBTL1CNR2HIF1AGRIN2BALDH1A1
SCHEMBL5543295 0.85 GRIN2B (0.40) L3MBTL1CNR2CNR1GRIN1GRIN2B

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 L3MBTL1 1411/4885CNR2 3954/4885CNR1 4053/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885CNR2 4810/4885CNR1 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.