SCHEMBL3565895

SCHEMBL3565895

COc1cccc(C(=O)NCc2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.59
HDAC1 Q13547 6/20 0.56
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MMP13 P45452 2/20 0.51
ALDH1A1 P00352 3/20 0.49
USP2 O75604 2/20 0.49
HPGD P15428 2/20 0.49
CLK1 P49759 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 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
SCHEMBL3578686 0.91 HDAC2 (0.67) HDAC2HDAC1CLK1
SCHEMBL3569872 0.89 HDAC2 (0.63) HDAC2HDAC1ALDH1A1HPGDKDM4E
SCHEMBL3577639 0.88 HDAC1 (0.55) HDAC2HDAC1ALDH1A1USP2HPGD
SCHEMBL3568348 0.88 HDAC2 (0.72) HDAC2HDAC1
SCHEMBL3575528 0.86 HDAC2 (0.62) HDAC2HDAC1
SCHEMBL1883965 0.86 HDAC1 (0.72) HDAC1RAB9ASMN1; SMN2MMP13ALDH1A1
SCHEMBL3569534 0.84 HDAC2 (0.70) HDAC2HDAC1
SCHEMBL3579753 0.84 HDAC1 (0.57) HDAC2HDAC1CLK1
SCHEMBL3575412 0.83 HDAC2 (0.69) HDAC2HDAC1RAB9ALMNA
SCHEMBL2414545 0.83 HDAC1 (0.69) HDAC2HDAC1RAB9ASMN1; SMN2MMP13

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 4/4885RAB9A 4789/4885

“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.