SCHEMBL402793

SCHEMBL402793

Cc1cccc(CNCC(=O)Nc2ccc(C#Cc3ccc(C(=O)N[C@@H](CN)C(=O)NO)cc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL401041 0.97 CTSB (0.39) CTSBCTSLCTSSCTSKMAPT
SCHEMBL1109403 0.92 PSEN1 (0.41) CTSBCTSLCTSSCTSKMAPT
SCHEMBL405568 0.90 HDAC1 (0.46) CTSBCTSLCTSSCTSKMAPT
SCHEMBL1096666 0.90 ANPEP (0.41) MAPTHDAC1
SCHEMBL405415 0.89 LMNA (0.45) KDM4EALDH1A1HDAC1HDAC2KMT2A
SCHEMBL404968 0.89 RECQL (0.46) MAPTKDM4EALDH1A1GAA
SCHEMBL404638 0.89 HDAC1 (0.48) MAPTKDM4EHDAC1HDAC2MEN1
SCHEMBL463163 0.89 LMNA (0.41) MAPTKDM4EALDH1A1GAA
SCHEMBL399467 0.88 CTSB (0.45) CTSBCTSLCTSSCTSKHDAC1
SCHEMBL404178 0.87 MAPK14 (0.41) MAPTHDAC1HDAC2MEN1KMT2A

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 19 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-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-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-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-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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (7 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 CTSB 259/4885CTSL 127/4885CTSS 300/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS CTSB 259/4885CTSL 127/4885CTSS 300/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CTSB 259/4885CTSL 127/4885CTSS 300/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CTSB 259/4885CTSL 127/4885CTSS 300/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS CTSB 259/4885CTSL 127/4885CTSS 300/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CTSB 259/4885CTSL 127/4885CTSS 300/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS CTSB 259/4885CTSL 127/4885CTSS 300/4885

“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.