SCHEMBL1082274

SCHEMBL1082274

O=C(NO)c1sc2ccc(NS(=O)(=O)c3cccs3)cc2c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.50
HDAC1 Q13547 2/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
HSPD1 P10809 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN5 P54829 1/20 0.45
HSPE1 P61604 1/20 0.45
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL974545 0.86 HDAC1 (0.57) BRD4HDAC1MEN1KMT2ALMNA
SCHEMBL975822 0.80 BRD4 (0.52) BRD4HDAC1MEN1KMT2APTPN2
SCHEMBL978418 0.79 HDAC1 (0.59) BRD4HDAC1KMT2APTPN2PTPN5
SCHEMBL6511754 0.75 HDAC1 (0.56) HDAC1MEN1KMT2AALDH1A1HPGD
SCHEMBL12922067 0.72 HDAC1 (0.62) HDAC1MEN1KMT2ALMNAALDH1A1
SCHEMBL975438 0.70 MGLL (0.53) HDAC1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL978417 0.69 HDAC1 (0.39) HDAC1LMNAMAPK1MAPT
SCHEMBL3979859 0.69 ALDH1A1 (0.51) BRD4MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL3984770 0.69 SERPINE1 (0.58) BRD4HDAC1MEN1KMT2AHSP90AA1
SCHEMBL4087564 0.68 SERPINE1 (0.51) BRD4MEN1KMT2AHSP90AA1HSP90AB1

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-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
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 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 (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 BRD4 683/4885HDAC1 1/4885MEN1 3189/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 BRD4 683/4885HDAC1 1/4885MEN1 3189/4885

“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.