SCHEMBL403899

SCHEMBL403899

C[C@@H](O)[C@H](NC(=O)C=Cc1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.60
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
EED O75530 1/20 0.49
TRPM2 O94759 2/20 0.47
LTB4R Q15722 1/20 0.47
HDAC3 O15379 5/20 0.46
HDAC4 P56524 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL403898 1.00 HDAC2 (0.60) HDAC2LMNATDP1EEDTRPM2
SCHEMBL401389 0.92 TDP1 (0.60) HDAC2LMNATDP1HDAC3HDAC4
SCHEMBL4920333 0.92 TDP1 (0.60) HDAC2LMNATDP1HDAC3HDAC4
SCHEMBL4920338 0.92 TDP1 (0.60) HDAC2LMNATDP1HDAC3HDAC4
SCHEMBL401390 0.92 TDP1 (0.60) HDAC2LMNATDP1HDAC3HDAC4
SCHEMBL12837617 0.88 HDAC2 (0.51) HDAC2LMNATDP1EEDHDAC1
SCHEMBL404624 0.85 NOS3 (0.47) LMNATDP1HDAC4HDAC1HDAC8
SCHEMBL404625 0.85 NOS3 (0.47) LMNATDP1HDAC4HDAC1HDAC8
SCHEMBL398710 0.84 MEN1 (0.63) LMNATDP1ALDH1A1
SCHEMBL398709 0.84 MEN1 (0.63) LMNATDP1ALDH1A1

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 13 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-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
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 HDAC2 2776/4885LMNA 3397/4885TDP1 3892/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC2 2776/4885LMNA 3397/4885TDP1 3892/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC2 2776/4885LMNA 3397/4885TDP1 3892/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC2 2776/4885LMNA 3397/4885TDP1 3892/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HDAC2 2776/4885LMNA 3397/4885TDP1 3892/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC2 2776/4885LMNA 3397/4885TDP1 3892/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC2 2776/4885LMNA 3397/4885TDP1 3892/4885

“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.