SCHEMBL13333286

SCHEMBL13333286

CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
PDF Q9HBH1 2/20 0.44
MMP2 P08253 3/20 0.44
MMP3 P08254 2/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
BMP1 P13497 1/20 0.42

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
SCHEMBL3324830 0.87 KMT2A (0.52) KMT2AMEN1CNR1CNR2ALDH1A1
SCHEMBL3324827 0.87 KMT2A (0.52) KMT2AMEN1CNR1CNR2ALDH1A1
SCHEMBL6135582 0.86 MMP2 (0.46) KMT2AMEN1PDFMMP2MMP3
SCHEMBL13333273 0.84 CCR1 (0.50) PDFMMP2MMP3BMP1
SCHEMBL5497357 0.84 MMP2 (0.44) PDFMMP2MMP3BMP1
SCHEMBL5497359 0.84 MMP2 (0.44) PDFMMP2MMP3BMP1
SCHEMBL14282177 0.83 MEN1 (0.46) KMT2AMEN1PDFMMP2MMP3
SCHEMBL7529199 0.83 MMP2 (0.49) MMP2MMP3BMP1
SCHEMBL14282181 0.83 PDF (0.52) PDFMMP2MMP3
SCHEMBL14282179 0.83 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 3725/4885MEN1 2736/4885CNR1 1221/4885

“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.