SCHEMBL3575412

SCHEMBL3575412

CC(C)(C)c1ccc(C(=O)NCc2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 10/20 0.69
HDAC1 Q13547 9/20 0.60
HDAC3 O15379 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
EPHX2 P34913 1/20 0.50
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
DHPS P49366 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
SCHEMBL3561795 0.91 HDAC2 (0.68) HDAC2HDAC1HDAC3
SCHEMBL3569534 0.91 HDAC2 (0.70) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL3568348 0.91 HDAC2 (0.72) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL3579612 0.89 HDAC2 (0.70) HDAC2HDAC1
SCHEMBL3578686 0.89 HDAC2 (0.67) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL3569872 0.86 HDAC2 (0.63) HDAC2HDAC1HDAC3
SCHEMBL3568743 0.85 HDAC2 (0.66) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL3575528 0.84 HDAC2 (0.62) HDAC2HDAC1HDAC3DHPS
SCHEMBL3565895 0.83 HDAC2 (0.59) HDAC2HDAC1LMNARAB9A
SCHEMBL3568732 0.83 HDAC2 (0.72) HDAC2HDAC1HDAC3HDAC4HDAC7

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
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US 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.