SCHEMBL976475

SCHEMBL976475

O=C(NO)c1sc(Cc2ccccc2)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.44
MPO P05164 1/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC7 Q8WUI4 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK10 P53779 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL976281 0.82 HDAC1 (0.52) HDAC6HDAC1HDAC8HDAC7ALDH1A1
SCHEMBL973792 0.82 HDAC1 (0.47) HDAC6HDAC1HDAC8HDAC7ALDH1A1
SCHEMBL976470 0.80 SMPD1 (0.47) HDAC6HDAC1HDAC8HDAC7HDAC4
SCHEMBL975895 0.79 EPHX1 (0.44) HDAC6HDAC1HDAC8HDAC7HDAC4
SCHEMBL15465579 0.77 MGLL (0.45) HDAC6HDAC1HDAC8HDAC7HDAC4
SCHEMBL976932 0.77 HDAC1 (0.56) CDC7DBF4HDAC1HDAC8HDAC7
SCHEMBL975815 0.76 CHRNB2 (0.44) HDAC6HDAC1ALDH1A1HPGDMEN1
SCHEMBL975736 0.71 NPC1 (0.52) HDAC6HDAC1HDAC8ALDH1A1NPSR1
SCHEMBL13845041 0.69 MAPT (0.43) HDAC6CDC7DBF4HDAC1HDAC8
SCHEMBL975603 0.68 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 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 (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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC6 10/4885MPO 241/4885CDC7 2481/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC6 10/4885MPO 241/4885CDC7 2481/4885

“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.