SCHEMBL4955729

SCHEMBL4955729

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
BLM P54132 1/20 0.37
CAMK2A Q9UQM7 1/20 0.36
ABAT P80404 1/20 0.35
SLC7A5 Q01650 1/20 0.35
MTOR P42345 1/20 0.35
TAAR1 Q96RJ0 4/20 0.34
SLC6A2 P23975 2/20 0.34
KDM4E B2RXH2 2/20 0.34
F13A1 P00488 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR3A P46098 1/20 0.33
BACE1 P56817 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4958583 0.85 ALDH1A1 (0.41) IDO1ALDH1A1CYP2C19L3MBTL1
SCHEMBL4091934 0.85 TRPA1 (0.44) TAAR1IDO1CYP2C19
SCHEMBL3133352 0.82 ALDH1A1 (0.39) KDM4EALDH1A1CYP2C19
SCHEMBL4958677 0.77 PYCR1 (0.41)
SCHEMBL6019621 0.76 CA2 (0.40) CA2BLMCAMK2AABATSLC7A5
SCHEMBL2122257 0.76 CA2 (0.54) CA2BLMCAMK2AABATSLC7A5
SCHEMBL3140568 0.74 RECQL (0.47)
SCHEMBL3998539 0.73 PARP10 (0.53)
SCHEMBL27822290 0.73 MTOR (0.55) MTORIDO1FNTAFNTB
SCHEMBL4324194 0.72 KDM4E (0.40) MTORTAAR1SLC6A2KDM4EESR1

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 8 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

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 CA2 1194/4885BLM 2228/4885CAMK2A 4018/4885
US-20050014702-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 CA2 1194/4885BLM 2228/4885CAMK2A 4018/4885
US-20020165167-A1 Antibacterial agents CBR1, CBR3, SIGMAR1 CA2 754/4885BLM 2628/4885CAMK2A 4491/4885

“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.