SCHEMBL975302

SCHEMBL975302

O=C(NO)c1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.58
CDC7 O00311 1/20 0.56
DBF4 Q9UBU7 1/20 0.56
HDAC1 Q13547 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
PTGDR Q13258 1/20 0.49
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL21129401 0.80 PTGDR2 (0.51) PTGDR2CDC7DBF4PTGDRALDH1A1
SCHEMBL975727 0.78 CDC7 (0.86) PTGDR2CDC7DBF4HDAC1HDAC8
SCHEMBL14941558 0.76 ALDH1A1 (0.65) PTGDR2CDC7DBF4ALDH1A1
SCHEMBL5056681 0.73 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL978378 0.72 CDC7 (1.00) PTGDR2CDC7DBF4HDAC1HDAC8
SCHEMBL978340 0.72 ADORA3 (0.78) CDC7DBF4ALDH1A1
SCHEMBL975863 0.70 CDC7 (0.68) CDC7DBF4HDAC1HDAC8HDAC6
SCHEMBL976858 0.70 CDC7 (0.76) CDC7DBF4HDAC1HDAC8HDAC6
SCHEMBL976371 0.70 CDC7 (0.68) CDC7DBF4HDAC1HDAC8HDAC6
SCHEMBL975487 0.69 ALDH1A1 (0.71) CDC7DBF4ALDH1A1

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 10 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
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 PTGDR2 4597/4885CDC7 2481/4885DBF4 1443/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 PTGDR2 4597/4885CDC7 2481/4885DBF4 1443/4885

“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.