SCHEMBL437072

SCHEMBL437072

NC[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)cc1)C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.41
SCN3A Q9NY46 2/20 0.40
SCN9A Q15858 1/20 0.40
CTSK P43235 1/20 0.39
CTSC P53634 1/20 0.39
KCNH2 Q12809 1/20 0.39
PFKFB2 O60825 1/20 0.38
PFKFB1 P16118 1/20 0.38
PFKFB3 Q16875 1/20 0.38
PSMB8 P28062 1/20 0.37

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
SCHEMBL14196048 1.00 ULK1 (0.41) ULK1SCN3ASCN9ACTSKCTSC
SCHEMBL14196045 0.97 SCN3A (0.43) SCN3ASCN9ACTSCPFKFB2PFKFB1
SCHEMBL404419 0.97 SCN3A (0.43) SCN3ASCN9ACTSCPFKFB2PFKFB1
SCHEMBL14224548 0.92 SCN3A (0.46) ULK1SCN3ASCN9ACTSKCTSC
SCHEMBL1912189 0.92 SCN3A (0.46) ULK1SCN3ASCN9ACTSKCTSC
SCHEMBL14224360 0.89 SCN3A (0.49) ULK1SCN3ASCN9ACTSCPFKFB2
SCHEMBL10286017 0.89 SCN3A (0.49) ULK1SCN3ASCN9ACTSCPFKFB2
SCHEMBL1109269 0.83
SCHEMBL405678 0.83 ULK1 (0.41) ULK1
SCHEMBL400449 0.83 ADORA2A (0.39)

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-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-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 ULK1 2763/4885SCN3A 3248/4885SCN9A 2172/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ULK1 2763/4885SCN3A 3248/4885SCN9A 2172/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ULK1 2763/4885SCN3A 3248/4885SCN9A 2172/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ULK1 2763/4885SCN3A 3248/4885SCN9A 2172/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ULK1 2763/4885SCN3A 3248/4885SCN9A 2172/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ULK1 2763/4885SCN3A 3248/4885SCN9A 2172/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ULK1 2763/4885SCN3A 3248/4885SCN9A 2172/4885

“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.