SCHEMBL1109563

SCHEMBL1109563

NC[C@H](NC(=O)c1ccc(-c2cccc(N)c2)cc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.49
HDAC1 Q13547 1/20 0.46
CTSB P07858 3/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
MME P08473 1/20 0.41

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
SCHEMBL1109185 0.88 CTSB (0.43) HPGDSCTSB
SCHEMBL1109400 0.88 CTSB (0.47) HPGDSCTSBCTSSCTSK
SCHEMBL1109277 0.87 HPGDS (0.65) HPGDSHDAC1
SCHEMBL401441 0.86 HPGDS (0.54) HPGDSHDAC1CTSBCTSSCTSK
SCHEMBL401005 0.86 HPGDS (0.54) HPGDSHDAC1CTSBCTSSCTSK
SCHEMBL1912117 0.86 ANPEP (0.48) HPGDSCTSBCTSLCTSSCTSK
SCHEMBL1109523 0.86 C3AR1 (0.55) HPGDSHDAC1CTSS
SCHEMBL1109286 0.86 CTSB (0.51) HPGDSHDAC1CTSBCTSLCTSS
SCHEMBL1109569 0.84 HDAC6 (0.57) HPGDSHDAC1CTSBCTSSCTSK
SCHEMBL1195040 0.83 ROCK2 (0.57) HPGDS

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 11 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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (6 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS HPGDS 253/4885HDAC1 824/4885CTSB 259/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HPGDS 253/4885HDAC1 824/4885CTSB 259/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HPGDS 253/4885HDAC1 824/4885CTSB 259/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HPGDS 253/4885HDAC1 824/4885CTSB 259/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HPGDS 253/4885HDAC1 824/4885CTSB 259/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HPGDS 253/4885HDAC1 824/4885CTSB 259/4885

“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.