SCHEMBL16264702

SCHEMBL16264702

CCn1cc(-c2ccc(N(C)C)cc2)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC3 O15379 4/20 0.54
HDAC4 P56524 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
CYP19A1 P11511 1/20 0.42
SRC P12931 1/20 0.42
APP P05067 7/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL18625972 0.87 HDAC8 (0.58) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL19723300 0.85 HDAC8 (0.53) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL19535082 0.84 HDAC8 (0.62) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL18625958 0.83 HDAC8 (0.51) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL16263157 0.83 HDAC8 (0.51) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL18625973 0.82 HDAC8 (0.48) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL9137418 0.81 SRC (0.60) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL21286389 0.80 HDAC8 (0.55) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL22868155 0.79 HSP90AA1 (0.60) CYP19A1SRCNPC1RAB9AATM
SCHEMBL16264704 0.79 CYP19A1 (0.62) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same GEORGIA TECH RESEARCH CORPORATION 2023-08-17 US disclosed
EP-2999707-B1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF BAYER ANIMAL HEALTH GMBH (DE) 2018-03-28 EP disclosed
EP-2782922-B1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION BAYER IP GMBH (DE) 2017-12-20 EP disclosed
WO-2017190038-A1 ANALOGS OF YOHIMBINE AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2017-11-02 WO 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-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 (3 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-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same KDM1B, KDM3A, KDM1A HDAC8 194/4885HDAC6 2960/4885HDAC3 189/4885
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.