Sugi Predict

Sugi Predict / Compounds / SCHEMBL3381670

SCHEMBL3381670

SCHEMBL3381670

Nc1ccccc1NCCCCCCCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.74
▸ HDAC3 O15379 13/20 0.74
▸ HDAC2 Q92769 11/20 0.74
▸ HDAC8 Q9BY41 10/20 0.74
▸ HDAC4 P56524 9/20 0.74
▸ HDAC7 Q8WUI4 9/20 0.74
▸ HDAC10 Q969S8 9/20 0.74
▸ HDAC11 Q96DB2 9/20 0.74
▸ HDAC6 Q9UBN7 9/20 0.74
▸ HDAC9 Q9UKV0 9/20 0.74
▸ HDAC5 Q9UQL6 9/20 0.74
▸ CA12 O43570 2/20 0.57
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ NCOR2 Q9Y618 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL3379464 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL7170799 0.82 CA12 (0.60) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3383019 0.77 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3383026 0.77 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL11061872 0.77 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL863993 0.77 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL1938649 0.76 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL24327215 0.76 HDAC3 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3383677 0.75 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3381304 0.75 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC8HDAC4

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 9 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
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 — — EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 — — US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 — — 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 5/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 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.