SCHEMBL3321806

SCHEMBL3321806

CC(C)(CC(=O)N1CCN(C(=O)c2cccnc2O)CC1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.37
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
HPGD P15428 1/20 0.37
SLC6A7 Q99884 1/20 0.37

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
SCHEMBL3319245 0.87 POLB (0.61) POLBALDH1A1KMT2AKDM4EMEN1
SCHEMBL3319297 0.81 L3MBTL1 (0.62) ALDH1A1L3MBTL1NPC1SMN1; SMN2
SCHEMBL3321803 0.79 POLB (0.45) POLBALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL3320702 0.77 KDM4E (0.51) POLBALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL3320223 0.77 ALDH1A1 (0.58) POLBALDH1A1KMT2AMEN1MAPK1
SCHEMBL3322025 0.73 CHRNA4 (0.43) ALDH1A1NPSR1CYP2C19
SCHEMBL3320722 0.73 DPP4 (0.49) ALDH1A1KMT2AMEN1CYP2C19HSD17B10
SCHEMBL3321364 0.72 GAA (0.55) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL3320389 0.72 MEN1 (0.61) POLBALDH1A1KMT2AMEN1MAPK1
SCHEMBL3319737 0.72 HTT (0.43) POLBALDH1A1KMT2AMEN1LMNA

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 POLB 771/4885ALDH1A1 2137/4885KMT2A 3765/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 POLB 752/4885ALDH1A1 2288/4885KMT2A 3725/4885

“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.