SCHEMBL4958583

SCHEMBL4958583

CN(C(N)=O)C(=O)[CH]Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 4/20 0.39
AOC3 Q16853 2/20 0.39
CNR1 P21554 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PYCR1 P32322 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
ADRA1D P25100 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCL2A1 Q16548 1/20 0.35

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
SCHEMBL4955729 0.85 CA2 (0.43) ALDH1A1CYP2C19IDO1L3MBTL1
SCHEMBL4091934 0.84 TRPA1 (0.44) CYP2C19IDO1AOC3PYCR1CYP1A2
SCHEMBL3133352 0.81 ALDH1A1 (0.39) ALDH1A1HTTRAB9ACYP2C19CYP2C9
SCHEMBL4320076 0.77 CYP2C9 (0.50) ALDH1A1HTTCYP2C19CYP2C9IDO1
SCHEMBL4958677 0.76 PYCR1 (0.41) AOC3PYCR1CYP1A2
SCHEMBL4452220 0.75 RAB9A (0.49) ALDH1A1HTTRAB9ACYP2C19CYP2C9
SCHEMBL3140568 0.73 RECQL (0.47) CYP2C9KMT2ACYP1A2
SCHEMBL3998539 0.72 PARP10 (0.53) HPGD
SCHEMBL15043962 0.71 CYP2C19 (0.62) ALDH1A1RAB9ACYP2C19CYP2C9MEN1
1,4-Dichlorobenzene SCHEMBL27657139 0.70 TSHR (0.54) ALDH1A1HTTRAB9ACYP2C19CYP2C9

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 10 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-20020165167-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-11-07 US 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 (3 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 ALDH1A1 1353/4885HTT 2251/4885RAB9A 1082/4885
US-20050014702-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 ALDH1A1 1353/4885HTT 2251/4885RAB9A 1082/4885
US-20020165167-A1 Antibacterial agents CBR1, CBR3, SIGMAR1 ALDH1A1 629/4885HTT 4161/4885RAB9A 1860/4885

“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.