SCHEMBL3574078

SCHEMBL3574078

COc1ccc(-c2nnc(Cc3ccc4cc(C(=O)Nc5ccccc5N)sc4c3)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.55
HDAC6 Q9UBN7 4/20 0.49
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
HDAC2 Q92769 5/20 0.46
ABCG2 Q9UNQ0 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC8 Q9BY41 3/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL3565979 0.83 HPGD (0.56) HDAC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3579753 0.80 HDAC1 (0.57) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL3503806 0.80 MAPT (0.53) RAB9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3578686 0.78 HDAC2 (0.67) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL3819259 0.77 HDAC1 (0.55) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL3571690 0.77 HDAC2 (0.48) HDAC1HDAC6MAPTHDAC2HDAC8
SCHEMBL3563760 0.76 HDAC1 (0.51) HDAC1HDAC6ALDH1A1HDAC2HDAC8
SCHEMBL3810239 0.76 HDAC2 (0.57) HDAC1HDAC6MAPTHDAC2SMN1; SMN2
SCHEMBL3577206 0.76 HDAC1 (0.74) HDAC1HDAC6RAB9AKDM4EALDH1A1
SCHEMBL3818909 0.76 HDAC1 (0.47) HDAC1HDAC6ALDH1A1MAPTHDAC2

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 14 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
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 4/4885HDAC6 9/4885RAB9A 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.