SCHEMBL405568

SCHEMBL405568

NC[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)CNCc3cccc(Cl)c3)cc2)cc1)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
F7 P08709 1/20 0.41
CTSV O60911 3/20 0.40
CTSL P07711 3/20 0.40
CTSB P07858 3/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 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
SCHEMBL405305 0.92 LMNA (0.38)
SCHEMBL1912221 0.92 HDAC1 (0.48) HDAC1F7CTSVCTSLCTSB
SCHEMBL402793 0.90 CTSB (0.40) HDAC1CTSLCTSBCTSSCTSK
SCHEMBL1096666 0.90 ANPEP (0.41) HDAC1MAPT
SCHEMBL459948 0.89 LMNA (0.43) HDAC1ALDH1A1
SCHEMBL404968 0.89 RECQL (0.46) ALDH1A1MAPT
SCHEMBL404817 0.89 F7 (0.40) HDAC1F7
SCHEMBL404178 0.87 MAPK14 (0.41) HDAC1MEN1KMT2AMAPT
SCHEMBL404638 0.87 HDAC1 (0.48) HDAC1MEN1KMT2AMAPT
SCHEMBL404032 0.87 LMNA (0.39) MEN1KMT2AMAPT

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-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-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 HDAC1 824/4885F7 1016/4885CTSV 888/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885F7 1016/4885CTSV 888/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885F7 1016/4885CTSV 888/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885F7 1016/4885CTSV 888/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885F7 1016/4885CTSV 888/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885F7 1016/4885CTSV 888/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC1 824/4885F7 1016/4885CTSV 888/4885

“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.