SCHEMBL3576457

SCHEMBL3576457

CC(NCc1c[nH]c2ccccc12)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC2 Q92769 5/20 0.45
DHPS P49366 7/20 0.45
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC3 O15379 4/20 0.42
NCOR2 Q9Y618 1/20 0.42
MC5R P33032 3/20 0.41
MC1R Q01726 2/20 0.41
MC4R P32245 1/20 0.41
MC3R P41968 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL3563743 0.83 HDAC2 (0.54) HDAC2HDAC1HDAC3NCOR2
SCHEMBL3563783 0.82 HDAC2 (0.45) HDAC2HDAC1HDAC3NCOR2KDM4E
SCHEMBL3565882 0.80 HDAC2 (0.53) HDAC2HDAC1
SCHEMBL3568753 0.80 HDAC2 (0.53) HDAC2DHPSHDAC1
SCHEMBL3570546 0.80 HDAC2 (0.53) HDAC2HDAC1HDAC3
SCHEMBL3565002 0.80 HDAC2 (0.53) HDAC2DHPSHDAC1
SCHEMBL3573127 0.79 MC5R (0.54) MEN1KMT2AHDAC2DHPSHDAC1
SCHEMBL3573817 0.79 HDAC2 (0.52) HDAC2HDAC1HDAC3NCOR2
SCHEMBL3577453 0.79 HDAC2 (0.47) HDAC2DHPSHDAC1
SCHEMBL3565273 0.78 HDAC1 (0.51) HDAC2HDAC1HDAC3NCOR2

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 MEN1 3264/4885KMT2A 62/4885HDAC2 8/4885

“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.