SCHEMBL3381641

SCHEMBL3381641

O=C(CCCCCCC(=O)c1cccc2ccccc12)NO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.66
HDAC8 Q9BY41 11/20 0.66
HDAC2 Q92769 5/20 0.66
HDAC3 O15379 4/20 0.66
HDAC6 Q9UBN7 4/20 0.66
HDAC4 P56524 3/20 0.66
HDAC7 Q8WUI4 3/20 0.66
HDAC10 Q969S8 3/20 0.66
HDAC11 Q96DB2 3/20 0.66
HDAC9 Q9UKV0 3/20 0.66
HDAC5 Q9UQL6 3/20 0.66
MMP3 P08254 1/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
GMNN O75496 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54

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
SCHEMBL1233412 0.83 HDAC1 (0.67) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL7176337 0.83 ALDH1A1 (0.58) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL27819105 0.83 MAPT (0.58) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL3382572 0.83 MAPT (0.58) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL14652459 0.81 ALDH1A1 (0.56) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL15732279 0.81 MEN1 (0.60) KDM4EMEN1GMNNALDH1A1LMNA
SCHEMBL15655785 0.81 MEN1 (0.60) KDM4EMEN1GMNNALDH1A1LMNA
SCHEMBL15659633 0.81 MEN1 (0.60) KDM4EMEN1GMNNALDH1A1LMNA
SCHEMBL7391883 0.81 PTPN1 (0.65) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL12410626 0.81 ALDH1A1 (0.56) HDAC1HDAC8HDAC2HDAC3HDAC6

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
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 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 (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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885HDAC2 5/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885HDAC2 5/4885

“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.