SCHEMBL209292

SCHEMBL209292

COc1ccc2[nH]c(SCc3ccc(C(=O)Nc4ccccc4O[Si](C)(C)C(C)(C)C)cc3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.63
CYP2E1 P05181 6/20 0.51
CYP2C8 P10632 6/20 0.51
CYP2D6 P10635 6/20 0.51
CYP2C9 P11712 6/20 0.51
CYP2B6 P20813 6/20 0.51
CYP2C19 P33261 6/20 0.51
CYP1A2 P05177 5/20 0.51
CYP3A4 P08684 5/20 0.51
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.49
PTBP1 P26599 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 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
SCHEMBL2734575 0.94 HDAC1 (0.72) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL211177 0.85 HDAC1 (0.71) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL1065501 0.84 HDAC1 (0.87) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL8347912 0.83 HDAC1 (0.62) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL14424240 0.82 HDAC1 (0.75) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL209291 0.80 STK33 (0.42) HDAC1ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL1066309 0.78 HDAC1 (0.69) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL2733630 0.78 HDAC1 (0.82) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL1063187 0.77 CYP2E1 (0.68) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL1065421 0.76 CYP2E1 (0.83) HDAC1CYP2E1CYP2C8CYP2D6CYP2C9

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 6 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-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-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-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885CYP2E1 4419/4885CYP2C8 4381/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885CYP2E1 4542/4885CYP2C8 4584/4885

“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.