SCHEMBL976321

SCHEMBL976321

COc1ccc(-c2cccs2)c(C(=O)NO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 2/20 0.47
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
LMNA P02545 3/20 0.46
F2 P00734 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
GAA P10253 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TNFRSF1A P19438 1/20 0.46
HDAC1 Q13547 2/20 0.45

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
SCHEMBL974834 0.86 KDM4E (0.60) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL12922049 0.83 HDAC7 (0.50) MEN1KMT2AKDM4EALDH1A1MAOB
SCHEMBL973625 0.76 HDAC1 (0.54) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL24980526 0.76 MAOB (0.50) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL6955314 0.76 ALDH1A1 (0.54) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL12922048 0.73 CYP46A1 (0.57) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL3690457 0.73 MEN1 (0.66) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL10072606 0.73 MAOB (0.52) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL19603559 0.72 MAPT (0.55) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL28476825 0.72 MAOB (0.51) MEN1KMT2AKDM4EALDH1A1L3MBTL1

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 8 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-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
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 MEN1 3189/4885KMT2A 60/4885KDM4E 165/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MEN1 3189/4885KMT2A 60/4885KDM4E 165/4885

“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.