SCHEMBL3561983

SCHEMBL3561983

COc1ccc(CNCc2ccc3sc(C(=O)Nc4ccccc4N)cc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.57
HDAC2 Q92769 5/20 0.56
CLK1 P49759 3/20 0.56
HDAC3 O15379 3/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NCOR1 O75376 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
PPARA Q07869 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
SCHEMBL3579753 0.92 HDAC1 (0.57) HDAC1HDAC2CLK1HDAC3HDAC4
SCHEMBL3571889 0.90 HDAC1 (0.55) HDAC1HDAC2CLK1HDAC4
SCHEMBL3571781 0.90 HDAC1 (0.71) HDAC1HDAC2CLK1HDAC3HDAC4
SCHEMBL3565306 0.89 HDAC2 (0.55) HDAC1HDAC2CLK1HDAC3HDAC4
SCHEMBL3565545 0.89 HDAC1 (0.66) HDAC1HDAC2CLK1HDAC3NCOR2
SCHEMBL3568054 0.88 HDAC1 (0.54) HDAC1HDAC2CLK1HDAC3PPARA
SCHEMBL3570046 0.87 HDAC1 (0.60) HDAC1HDAC2
SCHEMBL3819259 0.85 HDAC1 (0.55) HDAC1HDAC2CLK1HDAC3HDAC4
SCHEMBL3570830 0.85 HDAC2 (0.48) HDAC1HDAC2CLK1HDAC3HDAC4
SCHEMBL3577639 0.85 HDAC1 (0.55) HDAC1HDAC2CLK1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 EP claimed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US claimed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP claimed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO claimed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US 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 4/4885HDAC2 8/4885CLK1 4160/4885

“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.