SCHEMBL13606229

SCHEMBL13606229

CONC(=O)c1ccc(Cn2sc3ccccc3c2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.74
▸ HDAC1 Q13547 2/20 0.74
▸ HDAC8 Q9BY41 2/20 0.74
▸ HDAC6 Q9UBN7 2/20 0.74
▸ HDAC5 Q9UQL6 2/20 0.74
▸ HDAC4 P56524 1/20 0.74
▸ HDAC7 Q8WUI4 1/20 0.74
▸ HDAC9 Q9UKV0 1/20 0.74
▸ CASP3 P42574 4/20 0.64
▸ FAAH O00519 1/20 0.57
▸ MGLL Q99685 1/20 0.57
▸ KAT2A Q92830 3/20 0.55
▸ KAT2B Q92831 3/20 0.55
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ NCOR2 Q9Y618 1/20 0.50
▸ G6PD P11413 3/20 0.48

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
SCHEMBL19726955 0.86 HDAC3 (0.79) HDAC3HDAC1HDAC8HDAC6HDAC5
SCHEMBL8230178 0.85 HDAC1 (1.00) HDAC3HDAC1HDAC8HDAC6HDAC5
SCHEMBL13606231 0.82 HDAC3 (0.72) HDAC3HDAC1HDAC8HDAC6HDAC5
SCHEMBL8222491 0.81 CASP3 (0.75) HDAC3HDAC1HDAC8HDAC6HDAC5
SCHEMBL13606220 0.80 KAT2A (0.69) CASP3KAT2AKAT2BG6PD
SCHEMBL17515279 0.78 CASP3 (1.00) HDAC3HDAC1HDAC8HDAC6HDAC5
SCHEMBL17515278 0.76 CASP3 (0.77) HDAC3HDAC1HDAC8HDAC6HDAC5
SCHEMBL79203 0.76 CASP3 (1.00) HDAC3HDAC1HDAC8HDAC6HDAC5
SCHEMBL18872061 0.75 CASP3 (0.79) HDAC3HDAC1HDAC8HDAC6HDAC5
SCHEMBL12938895 0.75 HDAC6 (0.70) HDAC3HDAC1HDAC8HDAC6HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312377-A1 DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONES DEACETYLASE INHIBITORS UNIVERSIDAD DE GRANADA (ES) 2009-12-17 — — 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-20090312377-A1 DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONES DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC8 9/4885

“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.

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