SCHEMBL1109469

SCHEMBL1109469

CN(C)CCCCNCC(=O)Nc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
SIRT1 Q96EB6 10/20 0.41
SIRT2 Q8IXJ6 9/20 0.41
GAA P10253 1/20 0.40
NAMPT P43490 1/20 0.40
UTS2R Q9UKP6 2/20 0.39
SIRT3 Q9NTG7 1/20 0.38

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
SCHEMBL1109136 0.93 MEN1 (0.39) HDAC1HDAC2GAAUTS2R
SCHEMBL462127 0.92 HDAC1 (0.39) HDAC1HDAC2SIRT1SIRT2GAA
SCHEMBL1109253 0.89 HDAC1 (0.53) HDAC1HDAC2GAA
SCHEMBL1109172 0.89 HDAC1 (0.54) HDAC1HDAC2GAA
SCHEMBL1109246 0.88 GAA (0.55) HDAC1HDAC2GAA
SCHEMBL1109457 0.87 GAA (0.41) HDAC1HDAC2GAA
SCHEMBL1109134 0.87 POLB (0.43) HDAC1HDAC2GAANAMPT
SCHEMBL1109176 0.86 GAA (0.45) HDAC1HDAC2GAA
SCHEMBL1109234 0.85 ANPEP (0.39) HDAC1HDAC2GAA
SCHEMBL400365 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 8 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-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-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-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (5 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 HDAC1 824/4885HDAC2 2776/4885SIRT1 1695/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885HDAC2 2776/4885SIRT1 1695/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885HDAC2 2776/4885SIRT1 1695/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885HDAC2 2776/4885SIRT1 1695/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC1 824/4885HDAC2 2776/4885SIRT1 1695/4885

“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.