SCHEMBL3566053

SCHEMBL3566053

CN(CC(=O)Nc1ccc2sc(C(=O)Nc3ccccc3N)cc2c1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.54
HDAC2 Q92769 2/20 0.47
ACKR3 P25106 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PDK1 Q15118 1/20 0.44
HDAC3 O15379 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 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
SCHEMBL3573819 0.93 HDAC1 (0.54) HDAC1HDAC2ACKR3RAB9AMEN1
SCHEMBL5805572 0.87 HDAC1 (0.71) HDAC1ACKR3RAB9AMEN1KMT2A
SCHEMBL3569339 0.85 HDAC1 (0.74) HDAC1HDAC2MEN1KMT2AKDM4E
SCHEMBL3565068 0.85 HDAC1 (0.50) HDAC1HDAC2RAB9AALDH1A1MAPT
SCHEMBL3574458 0.82 HDAC1 (0.57) HDAC1HDAC2KDM4EALDH1A1MAPT
SCHEMBL3575108 0.81 HDAC1 (0.55) HDAC1HDAC2HDAC3
SCHEMBL3562084 0.81 HDAC1 (0.62) HDAC1HDAC2
SCHEMBL3581315 0.80 HDAC1 (0.55) HDAC1HDAC2
SCHEMBL3568796 0.80 HDAC1 (0.71) HDAC1HDAC2HDAC3NCOR2
SCHEMBL3571974 0.78 HDAC1 (0.62) HDAC1HDAC2RAB9AKDM4EALDH1A1

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 HDAC1 4/4885HDAC2 8/4885ACKR3 3335/4885

“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.