SCHEMBL3569985

SCHEMBL3569985

CC(NCc1ccc(OC(F)(F)F)cc1)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.49
HDAC1 Q13547 14/20 0.44
HDAC3 O15379 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
MMP12 P39900 2/20 0.38

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
SCHEMBL3573817 0.90 HDAC2 (0.52) HDAC2HDAC1HDAC3
SCHEMBL3565882 0.88 HDAC2 (0.53) HDAC2HDAC1
SCHEMBL3563743 0.88 HDAC2 (0.54) HDAC2HDAC1HDAC3
SCHEMBL3570546 0.86 HDAC2 (0.53) HDAC2HDAC1HDAC3
SCHEMBL3568753 0.86 HDAC2 (0.53) HDAC2HDAC1
SCHEMBL3565002 0.86 HDAC2 (0.53) HDAC2HDAC1
SCHEMBL3582072 0.83 CASR (0.46) HDAC2HDAC1HDAC3
SCHEMBL3570977 0.82 HDAC2 (0.54) HDAC2HDAC1HDAC3
SCHEMBL3570222 0.82 HDAC2 (0.51) HDAC2HDAC1HDAC3
SCHEMBL3577453 0.81 HDAC2 (0.47) HDAC2HDAC1

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.