SCHEMBL3321291

SCHEMBL3321291

CCCCC(CN(O)C=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 2/20 0.44
AKR1C3 P42330 1/20 0.44
KMT2A Q03164 2/20 0.43
GFER P55789 2/20 0.43
LMNA P02545 2/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL3321294 1.00 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL3320349 0.88 CNR1 (0.50) ALDH1A1KDM4EHTTMAPTMAPK1
SCHEMBL3320089 0.88 CNR1 (0.51) ALDH1A1HTTMAPTGAAKMT2A
SCHEMBL3320351 0.88 CNR1 (0.50) ALDH1A1KDM4EHTTMAPTMAPK1
SCHEMBL3320090 0.88 CNR1 (0.51) ALDH1A1HTTMAPTGAAKMT2A
SCHEMBL3320490 0.87 LMNA (0.48) ALDH1A1MAPTMAPK1KMT2ALMNA
SCHEMBL3320488 0.87 LMNA (0.48) ALDH1A1MAPTMAPK1KMT2ALMNA
SCHEMBL3320190 0.87 MAPT (0.49) ALDH1A1KDM4EHTTMAPTMAPK1
SCHEMBL3320188 0.87 MAPT (0.49) ALDH1A1KDM4EHTTMAPTMAPK1
SCHEMBL3318334 0.85 CHRM4 (0.41) KDM4EHTTMAPTMAPK1LMNA

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 7 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
EP-1202968-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-05-08 EP disclosed
WO-2001010834-A9 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2001-08-09 WO disclosed
WO-2001010834-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO 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 L3MBTL1 2349/4885ALDH1A1 2137/4885KDM4E 4373/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 L3MBTL1 1972/4885ALDH1A1 2288/4885KDM4E 4371/4885

“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.