SCHEMBL399307

SCHEMBL399307

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)CNCCc3ccncc3)cc2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACACB O00763 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL13655004 0.92 ADRB1 (0.40) ADRB1ADRB3KDM4EALDH1A1HDAC2
SCHEMBL10286662 0.92 NAMPT (0.43) NAMPTADRB1ADRB3KDM4EALDH1A1
SCHEMBL461339 0.91 HDAC1 (0.48) HDAC2
SCHEMBL404283 0.91 KDM4E (0.50) NAMPTKDM4EALDH1A1ACACB
SCHEMBL403647 0.90 HIF1A (0.47) NAMPTADRB1ADRB3ACACB
SCHEMBL403180 0.90 MEN1 (0.45) HDAC2
SCHEMBL403338 0.88 HDAC1 (0.47) KDM4EHDAC2HDAC8HDAC6
SCHEMBL403984 0.88 KDM4E (0.48) NAMPTKDM4EALDH1A1ACACB
SCHEMBL402556 0.86 NAMPT (0.40) NAMPT
SCHEMBL400812 0.86 GAA (0.43)

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-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 1048/4885ADRB1 1968/4885ADRB3 3223/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS NAMPT 1048/4885ADRB1 1968/4885ADRB3 3223/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS NAMPT 1048/4885ADRB1 1968/4885ADRB3 3223/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NAMPT 1048/4885ADRB1 1968/4885ADRB3 3223/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS NAMPT 1048/4885ADRB1 1968/4885ADRB3 3223/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NAMPT 1048/4885ADRB1 1968/4885ADRB3 3223/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS NAMPT 1048/4885ADRB1 1968/4885ADRB3 3223/4885

“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.