SCHEMBL4459748

SCHEMBL4459748

O=C(O)N[C@H](C(=O)Nc1ccc2cc(C(=O)NO)sc2c1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.68
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49

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
SCHEMBL1001467 1.00 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3573257 0.87 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL1884523 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8260193 0.86 HDAC1 (0.62) HDAC1
SCHEMBL8260177 0.85 HDAC1 (0.61) HDAC1
SCHEMBL12951208 0.85 HDAC1 (0.61) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8260582 0.85 HDAC1 (0.61) HDAC1
SCHEMBL1891537 0.84 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1000019 0.83 HDAC1 (0.61) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1883963 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318541-A1 Benzothiophene hydroxamic acid derivatives with carbamate, urea, amide and sulfonamide substitutions MERCK SHARP & DOHME LLC 2009-12-24 US claimed
US-20090318541-A1 Benzothiophene hydroxamic acid derivatives with carbamate, urea, amide and sulfonamide substitutions MERCK SHARP & DOHME LLC 2009-12-24 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-20090318541-A1 Benzothiophene hydroxamic acid derivatives with carbamate, urea, amide and sulfonamide substitutions HDAC5, HAT1, BRDT HDAC1 4/4885HDAC3 11/4885HDAC4 5/4885

“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.