SCHEMBL1109546

SCHEMBL1109546

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1)C(=O)NO

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.52
HDAC1 Q13547 3/20 0.52
KCNH2 Q12809 2/20 0.52
HSD17B10 Q99714 3/20 0.52
KMT2A Q03164 1/20 0.52
MCHR1 Q99705 1/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL405058 0.92
SCHEMBL1109561 0.87 HDAC6 (0.62) HDAC4HDAC1KCNH2MCHR1
SCHEMBL1109248 0.87 HDAC1 (0.59) HDAC4HDAC1KCNH2MCHR1
SCHEMBL17975509 0.86 HDAC1 (0.51) HDAC1KMT2A
SCHEMBL13984744 0.86 HDAC1 (0.51) HDAC1KMT2A
SCHEMBL3012223 0.86 HDAC1 (0.51) HDAC1KMT2A
SCHEMBL9925870 0.86 KMT2A (0.51) HDAC1KMT2A
SCHEMBL1109224 0.86 KMT2A (0.51) HDAC1KMT2A
SCHEMBL14400854 0.86 KMT2A (0.51) HDAC1KMT2A
SCHEMBL1109434 0.86 HDAC6 (0.57) HDAC1MCHR1

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 10 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-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-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 HDAC4 1820/4885HDAC1 824/4885KCNH2 3106/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC4 1820/4885HDAC1 824/4885KCNH2 3106/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC4 1820/4885HDAC1 824/4885KCNH2 3106/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC4 1820/4885HDAC1 824/4885KCNH2 3106/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC4 1820/4885HDAC1 824/4885KCNH2 3106/4885

“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.