SCHEMBL719635

SCHEMBL719635

O=C(CCCCCCc1nc2ccc(-c3ccccc3)cc2[nH]1)NO

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.71
HDAC2 Q92769 16/20 0.71
HDAC8 Q9BY41 15/20 0.71
HDAC6 Q9UBN7 15/20 0.71
HDAC3 O15379 13/20 0.71
HDAC4 P56524 13/20 0.71
HDAC7 Q8WUI4 13/20 0.71
HDAC10 Q969S8 13/20 0.71
HDAC11 Q96DB2 13/20 0.71
HDAC9 Q9UKV0 13/20 0.71
HDAC5 Q9UQL6 13/20 0.71

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
SCHEMBL718921 0.91 HDAC1 (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL720830 0.86 HDAC3 (0.53) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL16906890 0.86 HDAC1 (0.68) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL721483 0.84 HDAC3 (0.70) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL718972 0.84 HDAC3 (0.70) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL720230 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL719628 0.81 HDAC1 (0.60) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL719909 0.80 HDAC3 (0.56) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL4189551 0.79 PRKCZ (0.48) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL718369 0.78 HDAC1 (0.56) HDAC1HDAC2HDAC8HDAC6HDAC3

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 HDAC1 11/4885HDAC2 15/4885HDAC8 8/4885
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 HDAC1 11/4885HDAC2 15/4885HDAC8 8/4885

“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.