SCHEMBL404419

SCHEMBL404419

NC[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCCN3)cc2)cc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.43
SCN9A Q15858 1/20 0.43
PSMB8 P28062 1/20 0.40
PFKFB2 O60825 2/20 0.39
PFKFB1 P16118 2/20 0.39
PFKFB3 Q16875 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CTSC P53634 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
SCHEMBL14196045 1.00 SCN3A (0.43) SCN3ASCN9APSMB8PFKFB2PFKFB1
SCHEMBL437072 0.97 ULK1 (0.41) SCN3ASCN9APSMB8PFKFB2PFKFB1
SCHEMBL14196048 0.97 ULK1 (0.41) SCN3ASCN9APSMB8PFKFB2PFKFB1
SCHEMBL10286017 0.91 SCN3A (0.49) SCN3ASCN9APSMB8PFKFB2PFKFB1
SCHEMBL14224360 0.91 SCN3A (0.49) SCN3ASCN9APSMB8PFKFB2PFKFB1
SCHEMBL1912189 0.89 SCN3A (0.46) SCN3ASCN9APSMB8PFKFB2PFKFB1
SCHEMBL14224548 0.89 SCN3A (0.46) SCN3ASCN9APSMB8PFKFB2PFKFB1
SCHEMBL405678 0.85 ULK1 (0.41)
SCHEMBL400769 0.83 PFKFB2 (0.41) SCN3ASCN9APFKFB2PFKFB1PFKFB3
SCHEMBL1109269 0.80

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 18 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-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 SCN3A 3248/4885SCN9A 2172/4885PSMB8 1580/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS SCN3A 3248/4885SCN9A 2172/4885PSMB8 1580/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS SCN3A 3248/4885SCN9A 2172/4885PSMB8 1580/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SCN3A 3248/4885SCN9A 2172/4885PSMB8 1580/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS SCN3A 3248/4885SCN9A 2172/4885PSMB8 1580/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SCN3A 3248/4885SCN9A 2172/4885PSMB8 1580/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS SCN3A 3248/4885SCN9A 2172/4885PSMB8 1580/4885

“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.