SCHEMBL3319805

SCHEMBL3319805

CC(C)(CC(=O)N1CCC(c2cc(-c3ccco3)n[nH]2)CC1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
USP30 Q70CQ3 3/20 0.38
IL2 P60568 2/20 0.38
PDE10A Q9Y233 1/20 0.38
ADORA2A P29274 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
DNMT1 P26358 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3323023 0.84 DRD4 (0.53) HTTMEN1KMT2AUSP30
SCHEMBL3319800 0.83 MAPT (0.52) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL14276938 0.82 MAPT (0.61) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL6334940 0.81 IL2 (0.51) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL7705423 0.81 HTT (0.64) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL27926759 0.74 MAPT (0.67) ALDH1A1MAPTMEN1KMT2APDE10A
SCHEMBL3320368 0.70 CYP3A4 (0.51) ALDH1A1RAB9A
SCHEMBL187658 0.70 MAPT (0.61) ALDH1A1MAPTMEN1KMT2APDE10A
SCHEMBL2354797 0.70 MAPT (0.61) ALDH1A1MAPTMEN1KMT2APDE10A
SCHEMBL13175666 0.68 AKR1C3 (0.53) ALDH1A1MAPTPDE10ANPC1RAB9A

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 ALDH1A1 2137/4885MAPT 4845/4885HTT 2299/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 ALDH1A1 2288/4885MAPT 4855/4885HTT 2332/4885

“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.