SCHEMBL1109475

SCHEMBL1109475

NCC(=O)Nc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1N

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.41
HPGDS O60760 2/20 0.40
ABCB1 P08183 1/20 0.39
ERAP2 Q6P179 3/20 0.39
LNPEP Q9UIQ6 3/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
ANPEP P15144 2/20 0.38
ABCC1 P33527 1/20 0.38
ERAP1 Q9NZ08 2/20 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
SCHEMBL1109192 0.88 SLC1A3 (0.47) HPGDSHDAC1HDAC3HDAC2ANPEP
SCHEMBL1105703 0.85
SCHEMBL1109209 0.83 TAAR1 (0.42) HDAC1HDAC3HDAC2
SCHEMBL10287228 0.83 PARP1 (0.45) HPGDSHDAC1HDAC3HDAC2
SCHEMBL1109400 0.82 CTSB (0.47) HPGDSANPEP
SCHEMBL1109550 0.81 HPGDS (0.45) HPGDSANPEP
SCHEMBL1109270 0.81 HDAC3 (0.52) HDAC1HDAC3HDAC2
SCHEMBL1109185 0.79 CTSB (0.43) HPGDS
SCHEMBL1109563 0.79 HPGDS (0.49) HPGDSHDAC1
SCHEMBL401441 0.78 HPGDS (0.54) HPGDSHDAC1HDAC3HDAC2

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-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS AAK1 3950/4885HPGDS 253/4885ABCB1 45/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS AAK1 3950/4885HPGDS 253/4885ABCB1 45/4885

“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.