SCHEMBL978418

SCHEMBL978418

O=C(NO)c1sc2ccc(NS(=O)(=O)Cc3ccccc3)cc2c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.59
BRD4 O60885 2/20 0.48
HPGD P15428 1/20 0.44
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
KMT2A Q03164 1/20 0.41
ACLY P53396 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 1/20 0.41
PGR P06401 1/20 0.40
AR P10275 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN5 P54829 1/20 0.39
SGK1 O00141 1/20 0.39

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 0.84 HDAC1 (0.57) HDAC1BRD4KMT2A
SCHEMBL1082274 0.79 BRD4 (0.50) HDAC1BRD4HPGDKMT2AHSD17B10
SCHEMBL975438 0.78 MGLL (0.53) HDAC1PTPN1
SCHEMBL975822 0.78 BRD4 (0.52) HDAC1BRD4AURKAAURKBKMT2A
SCHEMBL1883615 0.77 HDAC1 (0.83) HDAC1CYP19A1
SCHEMBL1886482 0.74 HDAC1 (1.00) HDAC1
SCHEMBL12922067 0.73 HDAC1 (0.62) HDAC1HPGDKMT2AALOX15HSD17B10
SCHEMBL15480587 0.71 HPGD (0.71) HDAC1HPGDKMT2AALOX15HSD17B10
SCHEMBL978417 0.71 HDAC1 (0.39) HDAC1
SCHEMBL5943744 0.71 PARP1 (0.54) HDAC1BRD4HPGDACLY

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 HDAC1 1/4885BRD4 683/4885HPGD 326/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC1 1/4885BRD4 683/4885HPGD 326/4885

“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.