SCHEMBL213831

SCHEMBL213831

COc1ccc2nc(NC(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)sc2c1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.82
SCD O00767 10/20 0.70
GSK3B P49841 5/20 0.66
MEN1 O00255 3/20 0.60
RAB9A P51151 3/20 0.60
KMT2A Q03164 3/20 0.60
NPC1 O15118 2/20 0.60
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
MCL1 Q07820 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL1064488 0.90 HDAC1 (1.00) HDAC1SCDMEN1RAB9AKMT2A
SCHEMBL210775 0.88 HDAC1 (0.73) HDAC1SCDMEN1RAB9AKMT2A
SCHEMBL214339 0.84 HDAC1 (0.75) HDAC1SCDMEN1RAB9AKMT2A
SCHEMBL213883 0.83 GSK3B (0.78) SCDGSK3BMEN1RAB9AKMT2A
SCHEMBL16562069 0.82 SCD (1.00) HDAC1SCDMEN1RAB9AKMT2A
SCHEMBL6058245 0.79 GSK3B (0.73) SCDGSK3BMEN1RAB9AKMT2A
SCHEMBL211854 0.79 HDAC1 (0.78) HDAC1SCDMAPTSMN1; SMN2
SCHEMBL16562258 0.79 SCD (0.81) SCDMEN1RAB9AKMT2ANPC1
SCHEMBL15685080 0.79 HDAC1 (0.67) HDAC1
SCHEMBL210479 0.78 HDAC1 (0.77) HDAC1SCDMAPTSMN1; SMN2

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-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
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (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 1/4885SCD 1653/4885GSK3B 392/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885SCD 1721/4885GSK3B 445/4885

“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.