SCHEMBL16263157

SCHEMBL16263157

CN(C)c1ccc(-c2cn(CC(C)(C)C)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC3 O15379 4/20 0.51
HDAC4 P56524 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC7 Q8WUI4 4/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC10 Q969S8 4/20 0.51
HDAC11 Q96DB2 4/20 0.51
HDAC9 Q9UKV0 4/20 0.51
HDAC5 Q9UQL6 4/20 0.51
HSP90AA1 P07900 3/20 0.44
HSP90AB1 P08238 3/20 0.44
NR1H4 Q96RI1 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GGPS1 O95749 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SRC P12931 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL18625973 0.87 HDAC8 (0.48) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL16264702 0.83 HDAC8 (0.54) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL16263163 0.81 ALOX5 (0.52) HSP90AA1HSP90AB1NR1H4MEN1KMT2A
SCHEMBL16263156 0.81 HSP90AA1 (0.63) HSP90AA1HSP90AB1NR1H4MEN1KMT2A
SCHEMBL19723300 0.81 HDAC8 (0.53) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL16263153 0.81 CYP19A1 (0.57) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL12251051 0.81 CYP19A1 (0.60) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL18922484 0.80 HSP90AA1 (0.63) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL18625972 0.80 HDAC8 (0.58) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL18625958 0.79 HDAC8 (0.51) HDAC8HDAC6HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771389-B2 Tylosin derivatives and method for preparation thereof THE KITASAKO INSTITUTE (JP) 2017-09-26 US disclosed
US-9771389-B2 Tylosin derivatives and method for preparation thereof THE KITASAKO INSTITUTE (JP) 2017-09-26 US disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 US disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 US disclosed
US-20160108077-A1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF THE KITASAKO INSTITUTE (JP) 2016-04-21 US disclosed
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION ELANCO ANIMAL HEALTH GMBH (DE) 2014-11-27 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 (2 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-20160108077-A1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF TMSB10, MLN, TMSB4X HDAC8 4011/4885HDAC6 1176/4885HDAC3 3025/4885
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION MLN, TMSB10, TMSB4X HDAC8 4331/4885HDAC6 1147/4885HDAC3 3503/4885

“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.