SCHEMBL974509

SCHEMBL974509

O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)c(C(=O)NO)s1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 9/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ RORB Q92753 1/20 0.58
▸ ADORA2A P29274 4/20 0.56
▸ ADORA1 P30542 4/20 0.56
▸ ELOVL1 Q9BW60 1/20 0.56
▸ SCD O00767 1/20 0.56
▸ CDC7 O00311 1/20 0.55
▸ DBF4 Q9UBU7 1/20 0.55
▸ NFKB1 P19838 1/20 0.54
▸ CSNK1D P48730 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CCNE1 P24864 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ CDK5 Q00535 1/20 0.53

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
SCHEMBL2753572 0.84 RORC (0.74) RORCMEN1KMT2ARORBADORA2A
SCHEMBL978340 0.82 ADORA3 (0.78) MEN1KMT2AADORA2AADORA1CDC7
SCHEMBL6283651 0.79 RORC (0.67) RORCADORA2AADORA1ELOVL1NFKB1
SCHEMBL975727 0.77 CDC7 (0.86) MEN1KMT2ACDC7DBF4SMN1; SMN2
SCHEMBL174439 0.75 RORC (0.81) RORCRORBSMN1; SMN2
SCHEMBL175300 0.74 RORC (0.89) RORCRORB
SCHEMBL176145 0.74 RORC (0.82) RORCRORB
SCHEMBL175258 0.74 RORC (0.83) RORCRORB
SCHEMBL3590806 0.74 ADORA3 (0.69) KMT2AADORA2AADORA1SCDSMN1; SMN2
SCHEMBL175183 0.74 RORC (1.00) RORCRORB

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 12 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
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 RORC 587/4885MEN1 3189/4885KMT2A 60/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 RORC 587/4885MEN1 3189/4885KMT2A 60/4885

“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.

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