SCHEMBL400794

SCHEMBL400794

NC[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)CNCCc3cccc(F)c3)cc2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
CNR1 P21554 1/20 0.38
ANPEP P15144 1/20 0.36
HDAC3 O15379 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL1109340 0.92 NAMPT (0.44) NAMPTHDAC1HDAC2CNR1ANPEP
SCHEMBL1096666 0.92 ANPEP (0.41) NAMPTHDAC1ANPEP
SCHEMBL403967 0.90 MEN1 (0.43) NAMPTHDAC1HDAC2
SCHEMBL436688 0.90 HDAC1 (0.52) HDAC1HDAC2HDAC3
SCHEMBL402961 0.88 ANPEP (0.40) NAMPTHDAC1ANPEP
SCHEMBL403673 0.86 HDAC1 (0.50) HDAC1HDAC2HDAC3
SCHEMBL401869 0.86 NAMPT (0.42) NAMPTHDAC1HDAC2CNR1
SCHEMBL402832 0.85 LMNA (0.38)
SCHEMBL403476 0.85 GFER (0.40) HDAC1
SCHEMBL403813 0.85 HIF1A (0.45) NAMPTHDAC1HDAC2

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 NAMPT 1048/4885HDAC1 824/4885HDAC2 2776/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS NAMPT 1048/4885HDAC1 824/4885HDAC2 2776/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS NAMPT 1048/4885HDAC1 824/4885HDAC2 2776/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NAMPT 1048/4885HDAC1 824/4885HDAC2 2776/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS NAMPT 1048/4885HDAC1 824/4885HDAC2 2776/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NAMPT 1048/4885HDAC1 824/4885HDAC2 2776/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS NAMPT 1048/4885HDAC1 824/4885HDAC2 2776/4885

“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.