SCHEMBL3568396

SCHEMBL3568396

O=C(Cc1ccc2cc(C(=O)O)sc2c1)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.62
NR1H4 Q96RI1 1/20 0.53
EPHX2 P34913 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BCL2L1 Q07817 1/20 0.51
NLRP3 Q96P20 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TBXAS1 P24557 1/20 0.47
MAPT P10636 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
SCHEMBL3503923 0.90 HDAC1 (0.78) HDAC1
SCHEMBL3504483 0.85 HDAC1 (0.55) HDAC1NR1H4EPHX2MEN1KMT2A
SCHEMBL3565538 0.83 HDAC1 (0.74) HDAC1BCL2L1L3MBTL1TBXAS1MAPT
SCHEMBL3571336 0.83 HDAC1 (0.58) HDAC1
SCHEMBL5805558 0.79 HDAC1 (0.81) HDAC1EPHX2MEN1KMT2ABCL2L1
SCHEMBL3572335 0.77 TBXAS1 (0.53) HDAC1BCL2L1TBXAS1
SCHEMBL9367263 0.77 NR1H4 (0.83) HDAC1NR1H4EPHX2MEN1KMT2A
SCHEMBL1884503 0.77 HDAC1 (1.00) HDAC1
SCHEMBL191611 0.75 TBXAS1 (0.57) HDAC1MEN1KMT2ABCL2L1TBXAS1
SCHEMBL31207829 0.75 TBXAS1 (0.57) HDAC1MEN1KMT2ABCL2L1TBXAS1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
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
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US 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
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 4/4885NR1H4 1960/4885EPHX2 1654/4885

“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.