SCHEMBL720830

SCHEMBL720830

COC(=O)CCCCCCc1nc2ccc(-c3ccccc3)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.53
HDAC4 P56524 5/20 0.53
HDAC1 Q13547 5/20 0.53
HDAC7 Q8WUI4 5/20 0.53
HDAC2 Q92769 5/20 0.53
HDAC10 Q969S8 5/20 0.53
HDAC11 Q96DB2 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
HDAC9 Q9UKV0 5/20 0.53
HDAC5 Q9UQL6 5/20 0.53
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
P2RY12 Q9H244 2/20 0.48
ABL1 P00519 1/20 0.48
LTB4R Q15722 1/20 0.48
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
MAPT P10636 4/20 0.47

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
SCHEMBL719635 0.86 HDAC1 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8328337 0.80 ALDH1A1 (0.68) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL718921 0.77 HDAC1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4189551 0.77 PRKCZ (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29040009 0.77 PARP1 (0.62) MAPTKDM4ESMN1; SMN2
SCHEMBL29040046 0.77 PARP1 (0.62) MAPTKDM4ESMN1; SMN2
SCHEMBL718809 0.76 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14665618 0.75 HTT (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1232898 0.75 LMNA (0.71) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL29040023 0.74 LMNA (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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 6/4885HDAC4 3/4885HDAC1 11/4885
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 6/4885HDAC4 3/4885HDAC1 11/4885

“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.