SCHEMBL3566096

SCHEMBL3566096

CC(C)(C)N(C(=O)O)c1ccccc1NC(=O)c1cc2cc(NC(=O)CCl)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.49
NPSR1 Q6W5P4 1/20 0.40
GSTO1 P78417 1/20 0.38
MAPK14 Q16539 1/20 0.37
PIN1 Q13526 1/20 0.37
MCHR1 Q99705 1/20 0.37
PDK1 Q15118 1/20 0.37
CLK1 P49759 1/20 0.37
CASP3 P42574 1/20 0.36
CASP2 P42575 1/20 0.36

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
SCHEMBL3566918 0.82 HDAC1 (0.58) HDAC1NPSR1PIN1CASP3CASP2
SCHEMBL13036451 0.80 HDAC1 (0.49) HDAC1NPSR1MAPK14CLK1CASP3
SCHEMBL3575108 0.79 HDAC1 (0.55) HDAC1NPSR1CASP3CASP2
SCHEMBL3572716 0.74 HDAC1 (0.56) HDAC1NPSR1CASP3CASP2
SCHEMBL3565271 0.73 MEN1 (0.54) HDAC1NPSR1GSTO1CASP2
SCHEMBL8350853 0.71 HDAC1 (0.58) HDAC1PIN1MCHR1
SCHEMBL3566053 0.70 HDAC1 (0.54) HDAC1PDK1
SCHEMBL3569339 0.69 HDAC1 (0.74) HDAC1
SCHEMBL3565068 0.69 HDAC1 (0.50) HDAC1NPSR1
SCHEMBL3562084 0.69 HDAC1 (0.62) HDAC1

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
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 EP disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 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-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 HDAC1 4/4885NPSR1 3405/4885GSTO1 910/4885

“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.