SCHEMBL3316971

SCHEMBL3316971

O=C(CCC1=CCCCN(CCCCc2ccccc2)C1=O)NO

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.88
HDAC3 O15379 19/20 0.88
HDAC2 Q92769 19/20 0.88
HDAC6 Q9UBN7 19/20 0.88
HDAC4 P56524 18/20 0.88
HDAC7 Q8WUI4 18/20 0.88
HDAC10 Q969S8 18/20 0.88
HDAC11 Q96DB2 18/20 0.88
HDAC8 Q9BY41 18/20 0.88
HDAC9 Q9UKV0 18/20 0.88
HDAC5 Q9UQL6 18/20 0.88

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
SCHEMBL2641357 0.97 HDAC3 (0.87) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2568461 0.93 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2641235 0.92 HDAC3 (0.87) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL3289437 0.90 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL12999351 0.88 HDAC1 (0.94) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2569059 0.86 HDAC1 (0.79) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL3288305 0.86 HDAC3 (0.86) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2567384 0.85 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2566576 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL12999344 0.83 HDAC3 (0.81) HDAC1HDAC3HDAC2HDAC6HDAC4

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-7723376-B2 2-oxo-heterocyclic compounds and pharmaceutical compositions KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-05-25 US disclosed
US-7723376-B2 2-oxo-heterocyclic compounds and pharmaceutical compositions KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-05-25 US disclosed
US-7723376-B2 2-oxo-heterocyclic compounds and pharmaceutical compositions KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-05-25 US disclosed
US-20060173043-A1 Use of novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2006-08-03 US disclosed
EP-1663201-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2006-06-07 EP disclosed
WO-2005004861-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-01-20 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 (1 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-20060173043-A1 Use of novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same MALT1, BRCA1, MCL1 HDAC1 2103/4885HDAC3 2001/4885HDAC2 1594/4885

“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.