SCHEMBL2733630

SCHEMBL2733630

COc1ccc2nc(SCc3ccc(C(=O)Nc4ccccc4O)cc3)[nH]c2c1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.82
CYP2E1 P05181 11/20 0.68
CYP2C8 P10632 11/20 0.68
CYP2D6 P10635 11/20 0.68
CYP2C9 P11712 11/20 0.68
CYP2B6 P20813 11/20 0.68
CYP2C19 P33261 11/20 0.68
CYP3A4 P08684 10/20 0.68
CYP1A2 P05177 9/20 0.68
PRMT5 O14744 5/20 0.58
WDR77 Q9BQA1 5/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
FPR2 P25090 2/20 0.57
BRS3 P32247 1/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL211177 0.93 HDAC1 (0.71) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL14424240 0.86 HDAC1 (0.75) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL2734575 0.85 HDAC1 (0.72) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL1065501 0.83 HDAC1 (0.87) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL1064755 0.82 CYP2E1 (0.82) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL2734144 0.82 HDAC1 (0.57) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
Bromide SCHEMBL1064752 0.81 CYP2E1 (0.80) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL2734131 0.81 CYP2E1 (1.00) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL4650010 0.79 CYP2E1 (1.00) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL210720 0.78 HDAC1 (0.79) HDAC1ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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 (1 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885CYP2E1 4419/4885CYP2C8 4381/4885

“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.