SCHEMBL3558366

SCHEMBL3558366

Cn1ccnc1SCc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.71
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 4/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 2/20 0.46
PKM P14618 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
PTK2 Q05397 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
THRB P10828 1/20 0.45
GAA P10253 1/20 0.43

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
SCHEMBL3556677 0.83 HDAC1 (1.00) HDAC1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2732298 0.78 HDAC1 (0.53) HDAC1MAPTNPC1RAB9AALDH1A1
SCHEMBL3558361 0.76 NAMPT (0.41) HDAC1MAPTTP53
SCHEMBL30944730 0.75 HDAC1 (0.53) HDAC1MAPTNPC1RAB9AALDH1A1
SCHEMBL1064323 0.75 HDAC1 (0.53) HDAC1MAPTNPC1RAB9AALDH1A1
SCHEMBL3663495 0.74 HDAC1 (0.52) HDAC1MAPTNPC1RAB9AALDH1A1
SCHEMBL1435144 0.74 HDAC1 (0.54) HDAC1MAPTHDAC3HDAC6
SCHEMBL2734093 0.73 HDAC1 (0.68) HDAC1RAB9AHDAC2HDAC3HDAC8
SCHEMBL31635248 0.73 HDAC1 (0.55) HDAC1TP53
SCHEMBL2477474 0.73 NAMPT (0.54) HDAC1HDAC2HDAC3HDAC8HDAC6

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
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
EP-1429765-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2004-06-23 EP disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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 (4 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885SMN1; SMN2 3671/4885MAPT 2110/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885SMN1; SMN2 3671/4885MAPT 2110/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885SMN1; SMN2 3671/4885MAPT 2110/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885SMN1; SMN2 3671/4885MAPT 2110/4885

“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.