SCHEMBL3577206

SCHEMBL3577206

COc1ccc(CC(=O)Nc2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.74
HDAC2 Q92769 4/20 0.51
HDAC3 O15379 4/20 0.51
HDAC10 Q969S8 2/20 0.51
MAPT P10636 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 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
SCHEMBL3571974 0.93 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC10MAPT
SCHEMBL3571276 0.89 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC10KDM4E
SCHEMBL1880667 0.85 HDAC1 (1.00) HDAC1MAPTRXFP1ALDH1A1RAB9A
SCHEMBL3579753 0.84 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL3571336 0.83 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL3565306 0.83 HDAC2 (0.55) HDAC1HDAC2HDAC3HDAC10ALDH1A1
SCHEMBL3578686 0.81 HDAC2 (0.67) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL3569339 0.81 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC10MAPT
SCHEMBL3571690 0.81 HDAC2 (0.48) HDAC1HDAC2HDAC3HDAC10MAPT
SCHEMBL3819259 0.81 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC10HDAC8

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 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.