SCHEMBL5548075

SCHEMBL5548075

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ncc[nH]2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CNR1 P21554 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NAMPT P43490 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.33
TLR2 O60603 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL5545901 0.90 L3MBTL1 (0.38) CNR2L3MBTL1CNR1MEN1KMT2A
SCHEMBL5545793 0.90 L3MBTL1 (0.38) CNR2L3MBTL1CNR1MEN1KMT2A
SCHEMBL5546812 0.88 CNR2 (0.41) CNR2L3MBTL1CNR1MEN1KMT2A
SCHEMBL5545883 0.88 NAMPT (0.37) CNR2L3MBTL1CNR1MEN1KMT2A
SCHEMBL5545372 0.86 CNR2 (0.45) CNR2L3MBTL1CNR1MEN1KMT2A
SCHEMBL5545541 0.85 PIK3CA (0.48) CNR2CNR1NAMPTHPGD
SCHEMBL5547227 0.83 GRIN1 (0.46) CNR2L3MBTL1CNR1MEN1KMT2A
SCHEMBL5545514 0.83 GRIN1 (0.44) CNR2L3MBTL1CNR1MEN1KMT2A
SCHEMBL5545823 0.83 CNR2 (0.39) CNR2L3MBTL1CNR1MEN1KMT2A
SCHEMBL5546492 0.83 CNR2 (0.39) CNR2L3MBTL1CNR1MEN1KMT2A

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 3 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
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 (1 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-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885L3MBTL1 1408/4885CNR1 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.