SCHEMBL974556

SCHEMBL974556

COc1ccc(-c2nc(-c3ccc(F)cc3)c(C(=O)NO)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.56
CDC7 O00311 1/20 0.55
DBF4 Q9UBU7 1/20 0.55
HDAC6 Q9UBN7 2/20 0.53
PTGDR2 Q9Y5Y4 7/20 0.52
APP P05067 1/20 0.48
MAPT P10636 1/20 0.47
POLB P06746 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 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
SCHEMBL977661 0.89 CDC7 (0.70) CDC7DBF4HDAC6PTGDR2MAPT
SCHEMBL12922065 0.87 CDC7 (0.57) PTGS2CDC7DBF4HDAC6PTGDR2
SCHEMBL976360 0.87 PTGS2 (0.58) PTGS2PTGDR2APPMAPTTRPM8
SCHEMBL13845097 0.85 PTGS2 (0.53) PTGS2HDAC6PTGDR2APPMAPT
SCHEMBL10506565 0.78 PTGS2 (0.78) PTGS2PTGDR2APPMAPT
SCHEMBL12922064 0.77 TRPM8 (0.53) PTGS2CDC7DBF4PTGDR2APP
SCHEMBL975727 0.77 CDC7 (0.86) CDC7DBF4HDAC6PTGDR2MAPT
SCHEMBL14148658 0.75 LMNA (0.76) CDC7DBF4PTGDR2MAPTPOLB
SCHEMBL16038025 0.72 ALDH1A1 (0.60) CDC7DBF4PTGDR2MAPTPOLB
SCHEMBL7833473 0.72 PTGS2 (1.00) PTGS2

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 9 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
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

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 PTGS2 3634/4885CDC7 2481/4885DBF4 1443/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 PTGS2 3634/4885CDC7 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.