SCHEMBL3570977

SCHEMBL3570977

C[C@H](NCc1ccc2cc(C(=O)Nc3ccccc3N)sc2c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.54
HDAC1 Q13547 17/20 0.49
HDAC3 O15379 3/20 0.43
NCOR2 Q9Y618 3/20 0.43

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
SCHEMBL3570854 0.92 HDAC2 (0.54) HDAC2HDAC1HDAC3NCOR2
SCHEMBL3563743 0.90 HDAC2 (0.54) HDAC2HDAC1HDAC3NCOR2
SCHEMBL3570546 0.89 HDAC2 (0.53) HDAC2HDAC1HDAC3
SCHEMBL3568753 0.87 HDAC2 (0.53) HDAC2HDAC1
SCHEMBL3565002 0.87 HDAC2 (0.53) HDAC2HDAC1
SCHEMBL3565882 0.87 HDAC2 (0.53) HDAC2HDAC1
SCHEMBL3573817 0.85 HDAC2 (0.52) HDAC2HDAC1HDAC3NCOR2
SCHEMBL3577453 0.85 HDAC2 (0.47) HDAC2HDAC1
SCHEMBL3574391 0.84 KMT2A (0.49) HDAC2HDAC1
SCHEMBL3582072 0.84 CASR (0.46) HDAC2HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC2 8/4885HDAC1 4/4885HDAC3 10/4885

“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.