SCHEMBL1066751

SCHEMBL1066751

Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCCN4CCOCC4)cc3s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 1.00
GPR35 Q9HC97 2/20 0.54
GPR55 Q9Y2T6 1/20 0.54
MAPT P10636 6/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 1/20 0.53
ADRB2 P07550 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TP53 P04637 2/20 0.51
THRB P10828 2/20 0.51
PKM P14618 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL6189153 0.93 HDAC1 (0.86) HDAC1GPR35GPR55MAPTLMNA
SCHEMBL211323 0.92 HDAC1 (0.85) HDAC1GPR35GPR55MAPTLMNA
SCHEMBL6189156 0.87 HDAC1 (0.77) HDAC1GPR35MAPTLMNATP53
SCHEMBL1064126 0.83 HDAC1 (0.71) HDAC1GPR35GPR55MAPTLMNA
SCHEMBL1066750 0.82 HDAC1 (0.70) HDAC1
SCHEMBL1066177 0.79 HDAC1 (1.00) HDAC1MAPTLMNAALDH1A1TP53
SCHEMBL210659 0.79 HDAC1 (0.80) HDAC1MAPTLMNAALDH1A1PKM
SCHEMBL210434 0.79 HDAC1 (0.80) HDAC1MAPTLMNAALDH1A1PKM
SCHEMBL1062991 0.79 HDAC1 (1.00) HDAC1MAPTLMNACYP3A4PKM
SCHEMBL2733018 0.78 HDAC1 (0.79) HDAC1MAPTLMNAALDH1A1THRB

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 20 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 claimed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
EP-1590340-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-04-07 EP disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 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
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US 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 1/4885GPR35 4487/4885GPR55 4483/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885GPR35 4487/4885GPR55 4483/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885GPR35 4487/4885GPR55 4483/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885GPR35 4487/4885GPR55 4483/4885

“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.