SCHEMBL3581325

SCHEMBL3581325

Nc1ccc(-c2cccs2)cc1NC(=O)C(F)c1ccc2cc(C(=O)O)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 19/20 0.56
HDAC1 Q13547 18/20 0.56
HDAC3 O15379 15/20 0.56
KCNH2 Q12809 1/20 0.47

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
SCHEMBL3575703 0.88 HDAC2 (0.46) HDAC2HDAC1HDAC3
SCHEMBL8227618 0.85 HDAC1 (0.53) HDAC2HDAC1HDAC3KCNH2
SCHEMBL3581331 0.76 KCNH2 (0.35) HDAC2HDAC1HDAC3KCNH2
SCHEMBL3562088 0.75 BCL2L1 (0.49) HDAC1
SCHEMBL1066615 0.74 HDAC1 (0.67) HDAC2HDAC1HDAC3
SCHEMBL4311931 0.73 HDAC1 (0.73) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4310691 0.73 HDAC1 (0.68) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4317008 0.73 HDAC1 (0.68) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4310695 0.73 HDAC1 (0.68) HDAC2HDAC1HDAC3KCNH2
SCHEMBL13736980 0.73 HDAC2 (1.00) HDAC2HDAC1HDAC3

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 10 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 claimed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US claimed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP claimed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 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
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 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 (2 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-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 HDAC2 7/4885HDAC1 4/4885HDAC3 6/4885
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.