SCHEMBL3320869

SCHEMBL3320869

CC(C)(CC(=O)N1CCN(C(=O)c2cc(O)nc(O)n2)CC1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
SMO Q99835 4/20 0.32
ME2 P23368 4/20 0.32
ME1 P48163 4/20 0.32
ME3 Q16798 4/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
DPP4 P27487 4/20 0.31
DPP9 Q86TI2 3/20 0.31
KDM4A O75164 1/20 0.31
NAMPT P43490 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL3320866 0.78 L3MBTL1 (0.32) SCN9AL3MBTL1
SCHEMBL3320069 0.77 KMT2A (0.50) NAMPT
SCHEMBL3319297 0.77 L3MBTL1 (0.62) L3MBTL1SMODPP4DPP9
SCHEMBL3320722 0.77 DPP4 (0.49) DPP4DPP9
SCHEMBL3319624 0.76 HTR2A (0.50) L3MBTL1NAMPT
SCHEMBL3319737 0.75 HTT (0.43) NAMPTBLM
SCHEMBL3320848 0.73 HPGD (0.44)
SCHEMBL3321806 0.70 POLB (0.45) L3MBTL1ME2ME1ME3
SCHEMBL3322025 0.69 CHRNA4 (0.43) NAMPT
SCHEMBL3317732 0.69 SIGLEC9 (0.43) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 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 (2 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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 SCN9A 1939/4885L3MBTL1 2349/4885SMO 4732/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 SCN9A 2076/4885L3MBTL1 1972/4885SMO 4750/4885

“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.