SCHEMBL3563783

SCHEMBL3563783

COc1ccccc1CNC(C)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.45
HDAC1 Q13547 10/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RCE1 Q9Y256 1/20 0.41
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CLK1 P49759 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.38
HDAC3 O15379 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL3573817 0.86 HDAC2 (0.52) HDAC2HDAC1CLK1HDAC3NCOR2
SCHEMBL3567588 0.86 HDAC2 (0.46) HDAC2HDAC1KDM4EALDH1A1TDP1
SCHEMBL3563743 0.85 HDAC2 (0.54) HDAC2HDAC1HDAC3NCOR2
SCHEMBL3582072 0.84 CASR (0.46) HDAC2HDAC1KDM4EALDH1A1HPGD
SCHEMBL3565882 0.84 HDAC2 (0.53) HDAC2HDAC1SMN1; SMN2
SCHEMBL3561314 0.83 HDAC1 (0.52) HDAC2HDAC1KDM4EALDH1A1HPGD
SCHEMBL3565002 0.82 HDAC2 (0.53) HDAC2HDAC1
SCHEMBL3568753 0.82 HDAC2 (0.53) HDAC2HDAC1
SCHEMBL3570546 0.82 HDAC2 (0.53) HDAC2HDAC1HDAC3
SCHEMBL3576457 0.82 MEN1 (0.48) HDAC2HDAC1KDM4EHDAC3NCOR2

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 4/4885KDM4E 161/4885

“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.