SCHEMBL1109531

SCHEMBL1109531

NCCCC(=O)Nc1cccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.52
HDAC1 Q13547 12/20 0.52
HPGDS O60760 2/20 0.47
HDAC3 O15379 10/20 0.46
HDAC4 P56524 9/20 0.46
HDAC7 Q8WUI4 9/20 0.46
HDAC2 Q92769 9/20 0.46
HDAC10 Q969S8 9/20 0.46
HDAC11 Q96DB2 9/20 0.46
HDAC8 Q9BY41 9/20 0.46
HDAC9 Q9UKV0 9/20 0.46
HDAC5 Q9UQL6 9/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NCOR2 Q9Y618 1/20 0.42
PARP1 P09874 1/20 0.42
F2R P25116 1/20 0.41

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
SCHEMBL1912240 0.90 HDAC1 (0.48) HDAC6HDAC1HPGDSHDAC3HDAC4
SCHEMBL10287228 0.89 PARP1 (0.45) HDAC6HDAC1HPGDSHDAC3HDAC4
SCHEMBL1109113 0.87 SMN1; SMN2 (0.51) HDAC6HDAC1HPGDSHDAC3HDAC4
SCHEMBL1912149 0.86 HDAC6 (0.48) HDAC6HDAC1HPGDSHDAC3HDAC4
SCHEMBL405272 0.86 HDAC3 (0.44) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1109252 0.86 HDAC1 (0.47) HDAC6HDAC1HPGDSHDAC3HDAC4
SCHEMBL400793 0.84 HDAC3 (0.43) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL10286217 0.82 HDAC1 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL404816 0.81 HDAC3 (0.41) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL10285987 0.81 HPGDS (0.47) HDAC6HDAC1HPGDSHDAC3HDAC4

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 HDAC6 660/4885HDAC1 824/4885HPGDS 253/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC6 660/4885HDAC1 824/4885HPGDS 253/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC6 660/4885HDAC1 824/4885HPGDS 253/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC6 660/4885HDAC1 824/4885HPGDS 253/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC6 660/4885HDAC1 824/4885HPGDS 253/4885

“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.