SCHEMBL5083302

SCHEMBL5083302

O=C(NCc1ccc(F)cc1F)c1cncnc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.60
MAOB P27338 1/20 0.50
GSK3B P49841 1/20 0.49
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MET P08581 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B13 Q7Z5P4 1/20 0.46
AR P10275 1/20 0.46
P2RX7 Q99572 2/20 0.45
KLKB1 P03952 1/20 0.45
PPARG P37231 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ROCK2 O75116 1/20 0.43

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
SCHEMBL6543656 0.85 THRB (0.55) GSK3BEPHX2MEN1KMT2AAR
SCHEMBL24154687 0.81 MAOB (0.47) CXCR4MAOBGSK3BEPHX2NR1H4
SCHEMBL3460904 0.81 EPHX2 (0.57) MAOBEPHX2NR1H4MEN1KMT2A
SCHEMBL6782132 0.79 EPHX2 (0.56) MAOBEPHX2NR1H4PPARG
SCHEMBL5083050 0.79 L3MBTL1 (0.69) CXCR4MEN1KMT2AL3MBTL1LMNA
SCHEMBL13450242 0.79 EPHX2 (0.62) MAOBGSK3BEPHX2NR1H4MET
SCHEMBL5643140 0.78 EPHX2 (0.54) MAOBGSK3BEPHX2NR1H4MEN1
SCHEMBL5645307 0.78 EPHX2 (0.58) MAOBEPHX2NR1H4P2RX7PPARG
SCHEMBL5211695 0.77 MEN1 (0.52) MAOBGSK3BEPHX2NR1H4MET
SCHEMBL27604226 0.77 MAOB (0.50) MAOBEPHX2NR1H4LMNAHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A CXCR4 72/4885MAOB 691/4885GSK3B 752/4885

“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.