SCHEMBL1109523

SCHEMBL1109523

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.55
HPGDS O60760 3/20 0.48
GRM5 P41594 1/20 0.46
PLAU P00749 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HDAC6 Q9UBN7 2/20 0.44
CTSS P25774 1/20 0.44
MCHR1 Q99705 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL1109399 0.88 HTT (0.48) MCHR1
SCHEMBL1109400 0.87 CTSB (0.47) HPGDSCTSS
SCHEMBL1109563 0.86 HPGDS (0.49) HPGDSCTSSHDAC1
SCHEMBL1109277 0.86 HPGDS (0.65) HPGDSHDAC6HDAC1
SCHEMBL401441 0.85 HPGDS (0.54) HPGDSHDAC6CTSSHDAC1
SCHEMBL401005 0.85 HPGDS (0.54) HPGDSHDAC6CTSSHDAC1
SCHEMBL1109286 0.85 CTSB (0.51) HPGDSHDAC6CTSSHDAC1
SCHEMBL1912117 0.85 ANPEP (0.48) HPGDSTAAR1CTSS
SCHEMBL1109569 0.83 HDAC6 (0.57) HPGDSHDAC6CTSSMCHR1HDAC1
SCHEMBL1195040 0.82 ROCK2 (0.57) HPGDSPLAU

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 C3AR1 1340/4885HPGDS 253/4885GRM5 4653/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS C3AR1 1340/4885HPGDS 253/4885GRM5 4653/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS C3AR1 1340/4885HPGDS 253/4885GRM5 4653/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS C3AR1 1340/4885HPGDS 253/4885GRM5 4653/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS C3AR1 1340/4885HPGDS 253/4885GRM5 4653/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS C3AR1 1340/4885HPGDS 253/4885GRM5 4653/4885

“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.