SCHEMBL13333341

SCHEMBL13333341

CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCN(Cc2cccnc2)CC1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
PDF Q9HBH1 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6135582 0.90 MMP2 (0.46) KMT2APDFALDH1A1MMP2MMP3
SCHEMBL13333362 0.88 MMP1 (0.40) KDM4EALDH1A1
SCHEMBL7529199 0.85 MMP2 (0.49) MMP2MMP3
SCHEMBL13333322 0.83 MMP2 (0.47) KMT2APDFALDH1A1MMP2MMP3
SCHEMBL13333271 0.82 ALDH1A1 (0.48) KMT2AKDM4EALDH1A1TDP1
SCHEMBL5497357 0.80 MMP2 (0.44) PDFMMP2MMP3
SCHEMBL5497359 0.80 MMP2 (0.44) PDFMMP2MMP3
SCHEMBL14282177 0.79 MEN1 (0.46) KMT2APDFMMP2MMP3
SCHEMBL14282181 0.79 PDF (0.52) PDFMMP2MMP3
SCHEMBL14282179 0.79 PDF (0.54) PDFMMP2MMP3

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 4 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-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-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 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 (1 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-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 KMT2A 3725/4885PDF 273/4885KDM4E 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.