SCHEMBL403647

SCHEMBL403647

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
EPAS1 Q99814 2/20 0.47
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRB1 P08588 3/20 0.43
ADRB3 P13945 3/20 0.43
ADRB2 P07550 2/20 0.43
ACACB O00763 1/20 0.43
NAMPT P43490 2/20 0.42

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
SCHEMBL13655001 0.93 HIF1A (0.42) HIF1AEPAS1LMNAHTTNPSR1
SCHEMBL1109317 0.93 ADRB1 (0.47) LMNAHTTNPSR1ADRB1ADRB3
SCHEMBL403064 0.92 HTT (0.49) HIF1AEPAS1LMNAHTTNPSR1
SCHEMBL399307 0.90 NAMPT (0.41) ADRB1ADRB3ACACBNAMPT
SCHEMBL461339 0.90 HDAC1 (0.48)
SCHEMBL462594 0.89 HTT (0.48) HIF1AEPAS1LMNAHTTNPSR1
SCHEMBL403338 0.86 HDAC1 (0.47)
SCHEMBL403813 0.86 HIF1A (0.45) HIF1AEPAS1LMNAHTTNPSR1
SCHEMBL13659688 0.86 ADRB3 (0.42) LMNAHTTNPSR1ADRB1ADRB3
SCHEMBL403708 0.85 MAPK1 (0.46) HIF1AEPAS1NAMPT

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 17 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-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 (6 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 3481/4885LMNA 3397/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HIF1A 2221/4885EPAS1 3481/4885LMNA 3397/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HIF1A 2221/4885EPAS1 3481/4885LMNA 3397/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HIF1A 2221/4885EPAS1 3481/4885LMNA 3397/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HIF1A 2221/4885EPAS1 3481/4885LMNA 3397/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HIF1A 2221/4885EPAS1 3481/4885LMNA 3397/4885

“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.