SCHEMBL3378760

SCHEMBL3378760

O=C(CCCCCCC(=O)c1ccccn1)NO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.70
HDAC8 Q9BY41 10/20 0.70
HDAC6 Q9UBN7 8/20 0.70
HDAC2 Q92769 6/20 0.70
HDAC4 P56524 5/20 0.70
HDAC5 Q9UQL6 5/20 0.70
HDAC3 O15379 4/20 0.70
HDAC7 Q8WUI4 4/20 0.70
HDAC11 Q96DB2 4/20 0.70
HDAC9 Q9UKV0 4/20 0.70
HDAC10 Q969S8 3/20 0.70
ALOX5 P09917 1/20 0.51
KDM4E B2RXH2 1/20 0.51
BRD4 O60885 1/20 0.51
NCOR1 O75376 1/20 0.51
NR1I2 O75469 1/20 0.51
EGFR P00533 1/20 0.51
CYP3A4 P08684 1/20 0.51
LTA4H P09960 1/20 0.51
NR0B1 P51843 1/20 0.51

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
SCHEMBL3380712 0.82 HDAC1 (0.58) HDAC1HDAC8HDAC6HDAC2HDAC4
SCHEMBL13883837 0.82 CTNNB1 (0.54) HDAC1HDAC8HDAC6HDAC2HDAC4
SCHEMBL2873553 0.81 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC2HDAC4
SCHEMBL17817131 0.81 LMNA (0.63) KDM4E
SCHEMBL1254914 0.81 LMNA (0.63) KDM4E
SCHEMBL9440127 0.81 LMNA (0.63) KDM4E
SCHEMBL9658034 0.81 LMNA (0.63) KDM4E
SCHEMBL6242788 0.81 CTNNB1 (0.53) HDAC1HDAC8HDAC6HDAC2HDAC4
SCHEMBL1254915 0.81 LMNA (0.63) KDM4E
SCHEMBL28247961 0.81 LMNA (0.63) KDM4E

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 7 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
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 9/4885HDAC6 6/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885HDAC6 6/4885

“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.