SCHEMBL3680158

SCHEMBL3680158

O=C(O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HDAC1 Q13547 16/20 0.53
HDAC2 Q92769 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC7 Q8WUI4 1/20 0.49
CA9 Q16790 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL3692190 0.88 HDAC1 (0.49) MEN1KMT2AHDAC1HDAC2
SCHEMBL3685557 0.87 MEN1 (0.62) MEN1KMT2AHDAC1HDAC2HDAC7
SCHEMBL3642454 0.84 HDAC1 (0.58) HDAC1HDAC2HDAC3
SCHEMBL1931909 0.83 MEN1 (0.49) MEN1KMT2AHDAC1HDAC2HDAC3
SCHEMBL4669167 0.83 HDAC1 (0.59) HDAC1HDAC2HDAC3
SCHEMBL3643195 0.82 HDAC1 (0.60) HDAC1HDAC2HDAC3
SCHEMBL4318022 0.82 HDAC1 (0.58) HDAC1HDAC2HDAC3
SCHEMBL4578581 0.80 HDAC1 (0.47) HDAC1HDAC2HDAC3
SCHEMBL1067897 0.79 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC7
SCHEMBL1066546 0.78 HDAC1 (0.60) MEN1KMT2AHDAC1HDAC2HDAC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170076-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
EP-2049124-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP disclosed
WO-2009002495-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-12-31 WO disclosed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 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-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN MEN1 2398/4885KMT2A 153/4885HDAC1 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.