SCHEMBL2686353

SCHEMBL2686353

COc1ccc(NC(=O)C(NC(=O)Cc2ccccc2)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.62
HDAC3 O15379 6/20 0.61
HDAC2 Q92769 6/20 0.61
HDAC4 P56524 3/20 0.61
HDAC7 Q8WUI4 3/20 0.61
HDAC10 Q969S8 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
EPHA2 P29317 1/20 0.61
NCOR1 O75376 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CNR2 P34972 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL2684625 0.92 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2687073 0.91 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2686100 0.90 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2686930 0.89 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2686592 0.87 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2412761 0.85 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL5547680 0.83 HDAC1 (0.71) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2687809 0.82 HDAC1 (0.56) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2684787 0.80 HDAC1 (0.56) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1689196 0.80 HDAC1 (0.78) HDAC1HDAC3HDAC2HDAC4HDAC7

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
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP claimed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US claimed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US claimed
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
EP-1991226-A2 INHIBITORS OF HISTONE DEACETYLASE Merck & Co., Inc. (US) 2008-11-19 EP disclosed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 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 (1 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-20090069250-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC6 HDAC1 1/4885HDAC3 5/4885HDAC2 4/4885

“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.