SCHEMBL3320405

SCHEMBL3320405

CCCCC(CN(O)C=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.50
ALDH1A1 P00352 10/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.47
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
AKR1C3 P42330 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3320411 1.00 MAPT (0.50) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3320351 0.86 CNR1 (0.50) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3320090 0.86 CNR1 (0.51) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL3320349 0.86 CNR1 (0.50) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3320089 0.86 CNR1 (0.51) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL3320490 0.86 LMNA (0.48) MAPTALDH1A1LMNANPSR1KMT2A
SCHEMBL3320488 0.86 LMNA (0.48) MAPTALDH1A1LMNANPSR1KMT2A
SCHEMBL3320188 0.85 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3320190 0.85 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3321294 0.84 L3MBTL1 (0.46) MAPTALDH1A1SMN1; SMN2LMNAHTT

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 MAPT 4845/4885ALDH1A1 2137/4885SMN1; SMN2 4495/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 MAPT 4855/4885ALDH1A1 2288/4885SMN1; SMN2 4516/4885

“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.