SCHEMBL3380328

SCHEMBL3380328

CC(C)(C)[Si](C)(C)OC(CCCCC=CC(=O)NO)c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.40
HDAC8 Q9BY41 5/20 0.40
UTS2R Q9UKP6 3/20 0.37
CA2 P00918 1/20 0.36
MMP9 P14780 1/20 0.35
HDAC3 O15379 3/20 0.34
HDAC4 P56524 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MMP1 P03956 1/20 0.32
MMP7 P09237 1/20 0.32

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
SCHEMBL13783872 1.00 HDAC1 (0.40) HDAC1HDAC8UTS2RCA2MMP9
SCHEMBL13783862 0.89 HDAC1 (0.36) HDAC1HDAC8UTS2RCA2MEN1
SCHEMBL3380886 0.89 HDAC1 (0.36) HDAC1HDAC8UTS2RCA2MEN1
SCHEMBL3379481 0.89 ALOX5 (0.35) HDAC1HDAC8UTS2RCA2MTNR1A
SCHEMBL13783860 0.89 ALOX5 (0.35) HDAC1HDAC8UTS2RCA2MTNR1A
SCHEMBL3381066 0.83 CA2 (0.37) HDAC1HDAC8UTS2RCA2MEN1
SCHEMBL7172102 0.83 HDAC6 (0.37) HDAC1HDAC8HDAC3HDAC4HDAC6
SCHEMBL3383309 0.82 CA2 (0.39) HDAC1HDAC8CA2MEN1KMT2A
SCHEMBL13070015 0.79 HDAC1 (0.47) HDAC1HDAC8UTS2RMMP9MEN1
SCHEMBL3380320 0.79 HDAC1 (0.62) HDAC1HDAC8UTS2RMMP9HDAC3

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
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-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 9/4885UTS2R 3954/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885UTS2R 3954/4885

“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.