SCHEMBL5547227

SCHEMBL5547227

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2cccnc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.46
GRIN2B Q13224 3/20 0.46
CNR2 P34972 6/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR1 P21554 1/20 0.43
FEN1 P39748 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.41
ESR1 P03372 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TLR2 O60603 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL5545372 0.90 CNR2 (0.45) CNR2KDM4EALDH1A1LMNAALOX12
SCHEMBL5541062 0.90 KDM4E (0.44) GRIN1GRIN2BCNR2KDM4EALDH1A1
SCHEMBL5546512 0.89 GRIN1 (0.45) GRIN1GRIN2BCNR2KDM4EALDH1A1
SCHEMBL5545514 0.86 GRIN1 (0.44) GRIN1GRIN2BCNR2KDM4EALDH1A1
SCHEMBL5541139 0.86 CNR2 (0.50) GRIN1GRIN2BCNR2KDM4EALDH1A1
SCHEMBL5547157 0.85 CNR2 (0.49) GRIN1GRIN2BCNR2KDM4EALDH1A1
SCHEMBL5547150 0.85 CNR2 (0.49) GRIN1GRIN2BCNR2KDM4EALDH1A1
SCHEMBL5546823 0.85 KDM4E (0.49) CNR2KDM4EALDH1A1LMNAALOX12
SCHEMBL5545952 0.85 MAPK14 (0.42) CNR2KDM4EALDH1A1LMNAALOX12
SCHEMBL5541100 0.84 CNR2 (0.49) CNR2CNR1TLR2BRD4

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 GRIN1 3219/4885GRIN2B 4036/4885CNR2 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.