SCHEMBL403813

SCHEMBL403813

NC[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)CNCCc3cccnc3)cc2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.45
EPAS1 Q99814 3/20 0.45
NAMPT P43490 2/20 0.42
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
ADRB2 P07550 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1109372 0.92 ADRB1 (0.48) NAMPTADRB1ADRB3ADRB2HDAC1
SCHEMBL401392 0.92 HIF1A (0.47) HIF1AEPAS1NAMPTHDAC1LMNA
SCHEMBL402752 0.90 HDAC2 (0.41) NAMPTADRB1ADRB3HDAC1HDAC2
SCHEMBL436688 0.90 HDAC1 (0.52) HDAC1HDAC2
SCHEMBL437693 0.88 HTT (0.44) HIF1AEPAS1NAMPTHDAC1LMNA
SCHEMBL403673 0.86 HDAC1 (0.50) HDAC1HDAC2
SCHEMBL403647 0.86 HIF1A (0.47) HIF1AEPAS1NAMPTADRB1ADRB3
SCHEMBL403816 0.85 MAPK1 (0.44) HIF1AEPAS1NAMPT
SCHEMBL400794 0.85 NAMPT (0.42) NAMPTHDAC1HDAC2
SCHEMBL404840 0.85

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 20 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-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-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-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-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 HIF1A 2221/4885EPAS1 3481/4885NAMPT 1048/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HIF1A 2221/4885EPAS1 3481/4885NAMPT 1048/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HIF1A 2221/4885EPAS1 3481/4885NAMPT 1048/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HIF1A 2221/4885EPAS1 3481/4885NAMPT 1048/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HIF1A 2221/4885EPAS1 3481/4885NAMPT 1048/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HIF1A 2221/4885EPAS1 3481/4885NAMPT 1048/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HIF1A 2221/4885EPAS1 3481/4885NAMPT 1048/4885

“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.