SCHEMBL4518408

SCHEMBL4518408

O=C(NCc1c(F)cccc1F)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.51
ROCK2 O75116 4/20 0.50
CCR5 P51681 1/20 0.49
CXCR4 P61073 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 1/20 0.48
ROCK1 Q13464 1/20 0.47

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
SCHEMBL6361747 0.89 LMNA (0.56) RAB9ALMNAROCK2ROCK1
SCHEMBL3459833 0.88 GAA (0.55) MAPK14LMNAROCK2KMT2AMEN1
SCHEMBL13947087 0.87 POLB (0.54) MAPK14NPC1RAB9ALMNAROCK2
SCHEMBL4503792 0.83 EPHX2 (0.53) MAPK14NPC1RAB9AROCK2KMT2A
SCHEMBL678297 0.82 CA2 (0.64) KMT2A
SCHEMBL6077802 0.78 L3MBTL1 (0.77) MAPK14L3MBTL1LMNACXCR4KMT2A
SCHEMBL5644578 0.78 GAA (0.52) NPC1RAB9ALMNAROCK2KMT2A
SCHEMBL3460926 0.78 LMNA (0.64) RAB9ALMNAROCK2ROCK1
SCHEMBL13450263 0.77 EPHX2 (0.53) MAPK14L3MBTL1ROCK2KMT2AMEN1
SCHEMBL5230740 0.77 HDAC6 (0.72) NPC1RAB9AL3MBTL1LMNAROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 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-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT MAPK14 4043/4885NPC1 448/4885RAB9A 3773/4885

“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.