SCHEMBL5077152

SCHEMBL5077152

O=C(NCc1ccccc1)c1cnc(C(F)(F)F)nc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.67
L3MBTL1 Q9Y468 1/20 0.59
EPHX2 P34913 1/20 0.58
HDAC6 Q9UBN7 5/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC1 Q13547 2/20 0.55
HDAC3 O15379 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALOX15 P16050 1/20 0.53
LMNA P02545 2/20 0.52
RAB9A P51151 1/20 0.52
HDAC4 P56524 1/20 0.52
MAPK14 Q16539 1/20 0.51
HTT P42858 1/20 0.51
CNR2 P34972 1/20 0.51

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
SCHEMBL4636511 0.80 HPGDS (1.00) HPGDSL3MBTL1EPHX2HDAC6HDAC2
SCHEMBL429327 0.79 SMN1; SMN2 (0.61) HPGDSL3MBTL1EPHX2HDAC6HDAC2
SCHEMBL11979758 0.78 MAPK14 (0.76) EPHX2HDAC6HDAC2HDAC8HDAC1
SCHEMBL15646383 0.78 NAMPT (0.63) HDAC6HDAC2HDAC1HDAC3LMNA
SCHEMBL5019736 0.77 NAMPT (0.73) LMNARAB9A
SCHEMBL14005262 0.77 HPGDS (0.67) HPGDSL3MBTL1HDAC6HDAC2HDAC8
SCHEMBL5077115 0.76 HPGDS (0.67) HPGDSL3MBTL1HDAC6HDAC2HDAC8
SCHEMBL13210567 0.76 L3MBTL1 (0.76) HPGDSL3MBTL1EPHX2HDAC6HDAC2
SCHEMBL10077690 0.76 L3MBTL1 (0.71) HPGDSL3MBTL1EPHX2HDAC6HDAC2
SCHEMBL2634030 0.75 MAPK14 (0.76) EPHX2HDAC6HDAC2HDAC8HDAC1

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 HPGDS 387/4885L3MBTL1 4731/4885EPHX2 780/4885

“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.