SCHEMBL718330

SCHEMBL718330

COC(=O)CCCCCCC(=O)Nc1ccc(Br)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.61
HDAC1 Q13547 10/20 0.61
HDAC2 Q92769 7/20 0.52
HDAC4 P56524 7/20 0.52
HDAC10 Q969S8 6/20 0.52
HDAC6 Q9UBN7 6/20 0.52
HDAC7 Q8WUI4 5/20 0.52
HDAC11 Q96DB2 5/20 0.52
HDAC8 Q9BY41 5/20 0.52
HDAC9 Q9UKV0 5/20 0.52
HDAC5 Q9UQL6 5/20 0.52
NCOR2 Q9Y618 3/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.51
AAK1 Q2M2I8 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.49
HPGD P15428 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
SCHEMBL719005 0.80 KDM4E (0.57) KDM4EGAAMAPTPOLBHPGD
SCHEMBL12468432 0.79 POLB (0.59) HSD17B10KDM4EALDH1A1MAPTPOLB
SCHEMBL31635267 0.78 MEN1 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC10
SCHEMBL1938025 0.77 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC4HDAC8
SCHEMBL31635259 0.75 ALDH1A1 (0.61) HDAC3HDAC1HDAC2HDAC4HDAC10
SCHEMBL1119860 0.74 AAK1 (0.61) HDAC3HDAC1HDAC2HDAC4HDAC10
SCHEMBL718601 0.73 HDAC1 (0.76) HDAC3HDAC1HDAC2HDAC4HDAC10
SCHEMBL28327811 0.73 HPGD (0.58) HSD17B10KDM4EALDH1A1GAAMAPT
SCHEMBL7929398 0.73 HDAC1 (0.74) HDAC3HDAC1HDAC2HDAC4HDAC10
SCHEMBL28402231 0.72 AAK1 (0.56) HDAC3HDAC1AAK1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9381196-B2 Compounds, pharmaceutical compositions and methods of use of hydroxamic acid derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-07-05 US disclosed
US-20150196559-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-07-16 US disclosed
US-8987468-B2 Compounds, pharmaceutical compositions and methods of use of hydroxamic acid derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-20120053188-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE(TGEN (US) 2012-03-01 US disclosed
WO-2009100045-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2009-08-13 WO 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-20120053188-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES HDAC5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC4 HDAC3 6/4885HDAC1 11/4885HDAC2 15/4885
US-20150196559-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES HDAC5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC4 HDAC3 6/4885HDAC1 11/4885HDAC2 15/4885

“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.