SCHEMBL1109290

SCHEMBL1109290

COc1ccccc1CNCc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
HDAC1 Q13547 5/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
ANPEP P15144 1/20 0.48
KMT2A Q03164 3/20 0.45
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 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
SCHEMBL406342 0.92 HDAC1 (0.48) HTTHDAC1HDAC3HDAC2HDAC8
SCHEMBL1109446 0.87 TAOK1 (0.46) HDAC1HDAC3HDAC2HDAC8HDAC11
SCHEMBL1912138 0.86 KMT2A (0.52) HTTHDAC1ANPEPKMT2AKDM4E
SCHEMBL1912239 0.86 NPC1 (0.54) HDAC1HDAC3HDAC2HDAC8ANPEP
SCHEMBL10286213 0.85 HDAC8 (0.58) HDAC1HDAC3HDAC2HDAC8ANPEP
SCHEMBL1912227 0.85 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC8ANPEP
SCHEMBL1109530 0.85 HTT (0.62) HTTHDAC1HDAC3HDAC2HDAC8
SCHEMBL1194409 0.84 HTT (0.51) HTTHDAC1HDAC3HDAC2HDAC8
SCHEMBL1109445 0.82 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC8ANPEP
SCHEMBL1912276 0.82 HDAC8 (0.49) HDAC1HDAC3HDAC2HDAC8ANPEP

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 9 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-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

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 HTT 4781/4885HDAC1 824/4885HDAC3 2114/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HTT 4781/4885HDAC1 824/4885HDAC3 2114/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HTT 4781/4885HDAC1 824/4885HDAC3 2114/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HTT 4781/4885HDAC1 824/4885HDAC3 2114/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HTT 4781/4885HDAC1 824/4885HDAC3 2114/4885

“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.