SCHEMBL3320972

SCHEMBL3320972

CN(C)C(=O)c1ccc(OC2CCN(C(=O)[C@@H](NC(=O)C(CC3CCCC3)CN(C=O)OCc3ccccc3)C(C)(C)C)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
MMP1 P03956 6/20 0.39
MMP13 P45452 3/20 0.39
SRD5A1 P18405 1/20 0.38
RORC P51449 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.35
NAMPT P43490 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14573453 1.00 KMT2A (0.39) KMT2AMEN1MMP1MMP13SRD5A1
SCHEMBL3318361 0.94 SRD5A1 (0.45) KMT2AMEN1MMP1MMP13SRD5A1
SCHEMBL3319635 0.93 MMP1 (0.40) KMT2AMEN1MMP1MMP13SRD5A1
SCHEMBL13361605 0.93 MMP1 (0.40) KMT2AMEN1MMP1MMP13SRD5A1
SCHEMBL13333396 0.93 MMP1 (0.40) KMT2AMEN1MMP1MMP13SRD5A1
SCHEMBL6424139 0.93 MMP1 (0.44) KMT2AMEN1MMP1MMP13SRD5A1
SCHEMBL3323190 0.91 MMP1 (0.42) MMP1MMP13SRD5A1RORCNAMPT
SCHEMBL13361599 0.89 KMT2A (0.42) KMT2ASRD5A1MAPTLMNANAMPT
SCHEMBL14607454 0.89 KMT2A (0.42) KMT2ASRD5A1MAPTLMNANAMPT
SCHEMBL3323158 0.86 KMT2A (0.43) KMT2ASRD5A1MAPTLMNAL3MBTL1

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 3 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-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 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 (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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 KMT2A 3765/4885MEN1 2824/4885MMP1 3086/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 KMT2A 3725/4885MEN1 2736/4885MMP1 3122/4885

“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.