SCHEMBL3568796

SCHEMBL3568796

Nc1ccccc1NC(=O)c1cc2cc(NCc3ccccc3)ccc2s1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.71
HDAC2 Q92769 5/20 0.59
HDAC3 O15379 2/20 0.55
NCOR2 Q9Y618 1/20 0.55
HDAC4 P56524 2/20 0.51
EP300 Q09472 2/20 0.51
MEF2D Q14814 2/20 0.51
NCOR1 O75376 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 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
SCHEMBL3565545 0.89 HDAC1 (0.66) HDAC1HDAC2HDAC3NCOR2
SCHEMBL3574458 0.87 HDAC1 (0.57) HDAC1HDAC2
SCHEMBL3569339 0.86 HDAC1 (0.74) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL3571781 0.86 HDAC1 (0.71) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL1065486 0.85 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL3576523 0.85 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4EP300
SCHEMBL2733855 0.83 HDAC1 (0.68) HDAC1HDAC2
SCHEMBL3562084 0.83 HDAC1 (0.62) HDAC1HDAC2
SCHEMBL3576307 0.82 HDAC2 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC8
SCHEMBL3575108 0.81 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC8

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 HDAC1 4/4885HDAC2 8/4885HDAC3 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.