SCHEMBL3568924

SCHEMBL3568924

CC[C@@H](C(=O)Nc1ccc2cc(C(=O)Nc3ccccc3N)sc2c1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.76
HDAC3 O15379 10/20 0.61
HDAC8 Q9BY41 5/20 0.61
HDAC2 Q92769 9/20 0.54
NCOR2 Q9Y618 4/20 0.54
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
ALDH1A1 P00352 2/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 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
SCHEMBL3578793 1.00 HDAC1 (0.76) HDAC1HDAC3HDAC8HDAC2NCOR2
SCHEMBL1883963 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL1887639 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL1892719 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL3573802 0.86 HDAC1 (0.55) HDAC1HDAC3HDAC8HDAC2
SCHEMBL3571918 0.84 HDAC1 (0.54) HDAC1HDAC3HDAC8HDAC2NCOR2
SCHEMBL3576079 0.84 HDAC1 (0.54) HDAC1HDAC3HDAC8HDAC2NCOR2
SCHEMBL3573257 0.83 HDAC1 (0.52) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL3570949 0.83 HDAC1 (0.52) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL3572285 0.83 HDAC1 (0.52) HDAC1HDAC3HDAC8HDAC2HDAC10

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 3 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
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US 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 4/4885HDAC3 10/4885HDAC8 36/4885

“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.