SCHEMBL3574147

SCHEMBL3574147

Nc1ccccc1NC(=O)c1cc2ccc(C(NCCc3cnc[nH]3)C(=O)NCc3ccccc3)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.46
HDAC2 Q92769 3/20 0.46
NLN Q9BYT8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL3570726 0.89 HDAC2 (0.53) HDAC1HDAC2
SCHEMBL3570455 0.87 HDAC1 (0.51) HDAC1HDAC2
SCHEMBL3573269 0.85 HDAC2 (0.53) HDAC1HDAC2
SCHEMBL3565977 0.84 HDAC2 (0.47) HDAC1HDAC2
SCHEMBL3578898 0.83 HDAC1 (0.53) HDAC1HDAC2
SCHEMBL3561384 0.83 HDAC2 (0.51) HDAC1HDAC2
SCHEMBL3567420 0.81 HDAC2 (0.49) HDAC1HDAC2
SCHEMBL2106991 0.79 HDAC1 (0.64) HDAC1HDAC2
SCHEMBL3569581 0.79 CCR2 (0.50) HDAC1HDAC2
SCHEMBL4507045 0.79 HDAC2 (0.58) HDAC1HDAC2

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 4 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 claimed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US claimed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US 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 8/4885NLN 1239/4885

“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.