SCHEMBL8291348

SCHEMBL8291348

COc1ccc(C(=O)Nc2cc(-c3ccsc3CCC(C)(C)[Si](C)(C)O)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAPT P10636 10/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPK10 P53779 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41

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
SCHEMBL8292223 0.87 HDAC1 (0.57) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1065860 0.85 HDAC3 (0.44) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8291332 0.77 TDP1 (0.35) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL4580126 0.73 MAPT (0.48) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8291344 0.72 HDAC1 (0.55) ALDH1A1HDAC1HDAC2MAPTLMNA
SCHEMBL1066697 0.72 ABCB1 (0.60) ALDH1A1HDAC2MAPTLMNAKDM4E
SCHEMBL8293265 0.71 KDM4E (0.53) ALDH1A1MAPTLMNAKDM4ENPSR1
SCHEMBL1063157 0.71 HDAC1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1068651 0.70 HDAC1 (0.64) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4580292 0.69 MAPT (0.48) ALDH1A1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885HDAC3 3/4885HDAC4 8/4885

“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.