SCHEMBL3569872

SCHEMBL3569872

Cc1cccc(C(=O)NCc2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.63
HDAC1 Q13547 9/20 0.60
HDAC3 O15379 1/20 0.52
SENP5 Q96HI0 1/20 0.48
SENP2 Q9HC62 1/20 0.48
SENP1 Q9P0U3 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PRSS12 P56730 1/20 0.46

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
SCHEMBL3569534 0.91 HDAC2 (0.70) HDAC2HDAC1HDAC3
SCHEMBL3568348 0.91 HDAC2 (0.72) HDAC2HDAC1HDAC3SENP5SENP2
SCHEMBL3810319 0.91 HDAC1 (0.55) HDAC2HDAC1HDAC3MEN1KMT2A
SCHEMBL3575528 0.90 HDAC2 (0.62) HDAC2HDAC1HDAC3SENP5SENP2
SCHEMBL3565895 0.89 HDAC2 (0.59) HDAC2HDAC1KDM4EALDH1A1HPGD
SCHEMBL3568743 0.87 HDAC2 (0.66) HDAC2HDAC1HDAC3SENP5SENP2
SCHEMBL3575412 0.86 HDAC2 (0.69) HDAC2HDAC1HDAC3
SCHEMBL3579612 0.85 HDAC2 (0.70) HDAC2HDAC1PRSS12
SCHEMBL3578686 0.85 HDAC2 (0.67) HDAC2HDAC1HDAC3
SCHEMBL3561795 0.84 HDAC2 (0.68) HDAC2HDAC1HDAC3

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.