SCHEMBL3578686

SCHEMBL3578686

COc1ccc(C(=O)NCc2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.67
HDAC1 Q13547 15/20 0.58
HDAC3 O15379 4/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
NCOR1 O75376 1/20 0.53
CLK1 P49759 1/20 0.51
NCOR2 Q9Y618 1/20 0.50

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
SCHEMBL3565895 0.91 HDAC2 (0.59) HDAC2HDAC1CLK1
SCHEMBL3810239 0.91 HDAC2 (0.57) HDAC2HDAC1HDAC3HDAC8HDAC6
SCHEMBL3579753 0.90 HDAC1 (0.57) HDAC2HDAC1HDAC3HDAC8HDAC6
SCHEMBL3569534 0.90 HDAC2 (0.70) HDAC2HDAC1HDAC3HDAC8HDAC6
SCHEMBL3568348 0.89 HDAC2 (0.72) HDAC2HDAC1HDAC3HDAC8HDAC6
SCHEMBL3575412 0.89 HDAC2 (0.69) HDAC2HDAC1HDAC3HDAC8HDAC6
SCHEMBL3579612 0.88 HDAC2 (0.70) HDAC2HDAC1
SCHEMBL3561795 0.86 HDAC2 (0.68) HDAC2HDAC1HDAC3
SCHEMBL3569872 0.85 HDAC2 (0.63) HDAC2HDAC1HDAC3
SCHEMBL3819259 0.84 HDAC1 (0.55) HDAC2HDAC1HDAC3HDAC8HDAC6

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 9 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
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 HDAC2 8/4885HDAC1 4/4885HDAC3 10/4885

“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.