SCHEMBL1064755

SCHEMBL1064755

COC(=O)c1ccc(CSc2nc3ccc(OC)cc3[nH]2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 11/20 0.82
CYP2C8 P10632 11/20 0.82
CYP2D6 P10635 11/20 0.82
CYP2C9 P11712 11/20 0.82
CYP2B6 P20813 11/20 0.82
CYP2C19 P33261 11/20 0.82
CYP3A4 P08684 10/20 0.82
CYP1A2 P05177 9/20 0.82
MAPT P10636 2/20 0.71
FPR1 P21462 1/20 0.71
HDAC1 Q13547 1/20 0.68
BRS3 P32247 1/20 0.67
FPR2 P25090 2/20 0.65
PRMT5 O14744 1/20 0.62
WDR77 Q9BQA1 1/20 0.62
THRB P10828 1/20 0.61
HPGD P15428 1/20 0.61
GAA P10253 1/20 0.60
RAB9A P51151 1/20 0.60
ALPL P05186 1/20 0.60

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
Bromide SCHEMBL1064752 0.99 CYP2E1 (0.80) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL1063187 0.91 CYP2E1 (0.68) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL2734131 0.90 CYP2E1 (1.00) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL1061025 0.84 RAB9A (0.77) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL29429796 0.83 CYP2E1 (1.00) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL2733630 0.82 HDAC1 (0.82) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL4650010 0.82 CYP2E1 (1.00) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL8277910 0.82 CYP2E1 (0.74) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL1065421 0.81 CYP2E1 (0.83) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL1063814 0.81 MAPT (0.66) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 CYP2E1 4369/4885CYP2C8 4554/4885CYP2D6 4762/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 CYP2E1 4369/4885CYP2C8 4554/4885CYP2D6 4762/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 CYP2E1 4369/4885CYP2C8 4554/4885CYP2D6 4762/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 CYP2E1 4369/4885CYP2C8 4554/4885CYP2D6 4762/4885

“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.