SCHEMBL4958684

SCHEMBL4958684

CN(C)C(=O)C(C(N)=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.49
UGT2B7 P16662 1/20 0.47
EPHX1 P07099 1/20 0.46
MMP9 P14780 2/20 0.43
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 5/20 0.42
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MMP8 P22894 1/20 0.42
TNF P01375 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL5716820 0.84 UGT2B7 (0.53) AOC3UGT2B7EPHX1MMP9SLC6A2
SCHEMBL6244528 0.81 AOC3 (0.43) AOC3UGT2B7EPHX1MMP9SLC6A2
SCHEMBL6052898 0.79 SRC (0.50) AOC3EPHX1CYP2D6MEN1KMT2A
SCHEMBL3133535 0.79 SRC (0.50) AOC3EPHX1CYP2D6MEN1KMT2A
SCHEMBL6575278 0.77 UGT2B7 (0.47) AOC3UGT2B7EPHX1MMP9SLC6A2
SCHEMBL6573647 0.77 UGT2B7 (0.47) AOC3UGT2B7EPHX1MMP9SLC6A2
SCHEMBL1137612 0.76 UGT2B7 (0.58) UGT2B7EPHX1MMP9
SCHEMBL29941609 0.76 UGT2B7 (0.58) UGT2B7EPHX1MMP9
Hydrochloric Acid SCHEMBL5969924 0.75 UGT2B7 (0.56) UGT2B7EPHX1MMP9SLC6A2SLC6A4
SCHEMBL8120372 0.74 UGT2B7 (0.50) AOC3UGT2B7EPHX1MMP9SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323448-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-7148198-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2006-12-12 US disclosed
US-20060276409-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2006-12-07 US disclosed
US-20050014702-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-01-20 US disclosed
US-6787522-B2 BACTERIAL POLYPEPTIDE DEFORMYLASE (PDF) INHIBITORS, N-FORMYL HYDROXYLAMINE DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS (GB) 2004-09-07 US disclosed
EP-1052984-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2004-05-12 EP disclosed
US-6423690-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-07-23 US disclosed
EP-1052984-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-11-22 EP disclosed
WO-1999039704-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-12 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-20060276409-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 AOC3 136/4885UGT2B7 2289/4885EPHX1 3123/4885
US-20050014702-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 AOC3 136/4885UGT2B7 2289/4885EPHX1 3123/4885

“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.