SCHEMBL211650

SCHEMBL211650

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccc(O)cc3s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.60
LCK P06239 9/20 0.54
DYRK1A Q13627 2/20 0.51
DYRK1B Q9Y463 1/20 0.51
SCD O00767 3/20 0.48
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 1/20 0.47

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
SCHEMBL2733780 0.92 HDAC1 (0.61) HDAC1LCKSCD
SCHEMBL210651 0.90 HDAC1 (0.64) HDAC1LCKSCD
SCHEMBL211848 0.88 HDAC1 (0.56) HDAC1LCKDYRK1ASCD
SCHEMBL212264 0.86 HDAC1 (0.61) HDAC1LCKSCD
SCHEMBL2733518 0.86 HDAC1 (0.58) HDAC1LCKDYRK1ASCD
SCHEMBL210833 0.85 AURKB (0.60) HDAC1LCKSCD
SCHEMBL210213 0.83 HDAC1 (0.81) HDAC1DYRK1ADYRK1BSCD
SCHEMBL209892 0.82 HDAC1 (0.68) HDAC1
SCHEMBL5584436 0.80 KMT2A (0.51) HDAC1DYRK1A
SCHEMBL210488 0.79 HDAC1 (0.64) HDAC1

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 4 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-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 1/4885LCK 1674/4885DYRK1A 3424/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885LCK 1429/4885DYRK1A 3550/4885

“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.