SCHEMBL13825529

SCHEMBL13825529

NC[C@H](N)C(=O)Nc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](N)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
HDAC1 Q13547 4/20 0.40
ROCK1 Q13464 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL1109501 0.91 AAK1 (0.44) AAK1HDAC1TAAR1HDAC3HDAC4
SCHEMBL13818643 0.90 HDAC1 (0.38) HDAC1
SCHEMBL13825530 0.87 AAK1 (0.57) AAK1TAAR1
SCHEMBL1109387 0.85 AAK1 (0.44) AAK1FNTAFNTBPGGT1BHDAC1
SCHEMBL13825454 0.85 HDAC1 (0.38) AAK1FNTAFNTBPGGT1BHDAC1
SCHEMBL402228 0.81
SCHEMBL1109260 0.81 AAK1 (0.57) AAK1
SCHEMBL14400920 0.81 AAK1 (0.57) AAK1
SCHEMBL10285898 0.81 AAK1 (0.57) AAK1
SCHEMBL1109109 0.80 ERAP2 (0.44) AAK1HDAC1TAAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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 (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-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS AAK1 3950/4885FNTA 211/4885FNTB 111/4885

“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.