SCHEMBL212206

SCHEMBL212206

COc1ccc(CNc2nc3ccc(C(=O)Nc4ccccc4N)cc3s2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.75
HDAC2 Q92769 1/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
KDM4E B2RXH2 2/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HDAC4 P56524 1/20 0.50
MEF2D Q14814 1/20 0.50

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
SCHEMBL211970 0.91 HDAC1 (0.72) HDAC1HDAC2NPC1RAB9AKDM4E
SCHEMBL1064488 0.86 HDAC1 (1.00) HDAC1NPC1RAB9A
SCHEMBL2733826 0.83 HDAC1 (0.79) HDAC1HDAC2
SCHEMBL214421 0.82 HDAC1 (0.82) HDAC1HDAC2HDAC4MEF2D
SCHEMBL5583466 0.82 RAB9A (0.67) HDAC1NPC1RAB9AKDM4EHTT
SCHEMBL211214 0.82 HDAC1 (0.74) HDAC1HDAC2
SCHEMBL210213 0.82 HDAC1 (0.81) HDAC1HDAC2HDAC4MEF2D
SCHEMBL210056 0.81 HDAC1 (0.68) HDAC1HDAC2RAB9AHDAC4MEF2D
SCHEMBL1060645 0.80 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL4972632 0.80 HDAC1 (0.78) HDAC1HDAC2NPC1RAB9AKDM4E

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-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

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 1/4885HDAC2 10/4885NPC1 1293/4885

“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.