SCHEMBL402596

SCHEMBL402596

C[C@@H](O)[C@H](NC(=O)C=CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.59
HDAC4 P56524 5/20 0.59
HDAC1 Q13547 5/20 0.59
HDAC2 Q92769 5/20 0.59
HDAC8 Q9BY41 5/20 0.59
HDAC6 Q9UBN7 5/20 0.59
HDAC7 Q8WUI4 4/20 0.59
HDAC10 Q969S8 4/20 0.59
HDAC11 Q96DB2 4/20 0.59
HDAC9 Q9UKV0 4/20 0.59
HDAC5 Q9UQL6 4/20 0.59
MAOB P27338 4/20 0.51
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL402595 1.00 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL401390 0.90 TDP1 (0.60) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL4920333 0.90 TDP1 (0.60) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL401389 0.90 TDP1 (0.60) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL4920338 0.90 TDP1 (0.60) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL18373251 0.83 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL403898 0.83 HDAC2 (0.60) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL403899 0.83 HDAC2 (0.60) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL680389 0.81 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1558593 0.79 TDP1 (0.63) HDAC3HDAC4HDAC1HDAC2HDAC8

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP 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-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-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
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 HDAC3 2114/4885HDAC4 1820/4885HDAC1 824/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC3 2114/4885HDAC4 1820/4885HDAC1 824/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC3 2114/4885HDAC4 1820/4885HDAC1 824/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HDAC3 2114/4885HDAC4 1820/4885HDAC1 824/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC3 2114/4885HDAC4 1820/4885HDAC1 824/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC3 2114/4885HDAC4 1820/4885HDAC1 824/4885

“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.