SCHEMBL3561534

SCHEMBL3561534

Cc1cccc(C(=O)NC(C)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 8/20 0.43
HDAC3 O15379 6/20 0.43
NCOR2 Q9Y618 3/20 0.41
GPR139 Q6DWJ6 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
DHPS P49366 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL3579179 0.91 HDAC2 (0.51) HDAC2HDAC1HDAC3NCOR2DHPS
SCHEMBL3569927 0.90 DHPS (0.45) HDAC2MEN1KMT2AHDAC1HDAC3
SCHEMBL3575556 0.86 HDAC2 (0.50) HDAC2HDAC1HDAC3NCOR2DHPS
SCHEMBL3570589 0.84 HDAC1 (0.55) HDAC2HDAC1HDAC3NCOR2HDAC4
SCHEMBL3569872 0.81 HDAC2 (0.63) HDAC2MEN1KMT2AHDAC1HDAC3
SCHEMBL3810319 0.80 HDAC1 (0.55) HDAC2MEN1KMT2AHDAC1HDAC3
SCHEMBL3563743 0.78 HDAC2 (0.54) HDAC2HDAC1HDAC3NCOR2HDAC8
SCHEMBL3566830 0.76 HDAC1 (0.51) HDAC2MEN1KMT2AHDAC1HDAC3
SCHEMBL3577453 0.76 HDAC2 (0.47) HDAC2HDAC1HDAC4DHPSOPRM1
SCHEMBL3565002 0.75 HDAC2 (0.53) HDAC2HDAC1DHPSOPRM1

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 8/4885MEN1 3264/4885KMT2A 62/4885

“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.