SCHEMBL3942558

SCHEMBL3942558

O=C(CCCCCN1C(=O)c2ccccc2S1(=O)=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 1.00
HDAC2 Q92769 16/20 1.00
HDAC8 Q9BY41 5/20 0.64
HDAC3 O15379 4/20 0.64
HDAC4 P56524 4/20 0.64
HDAC7 Q8WUI4 4/20 0.64
HDAC10 Q969S8 4/20 0.64
HDAC11 Q96DB2 4/20 0.64
HDAC6 Q9UBN7 4/20 0.64
HDAC9 Q9UKV0 4/20 0.64
HDAC5 Q9UQL6 4/20 0.64
TUBB4A P04350 1/20 0.64
TUBB P07437 1/20 0.64
TUBA3C P0DPH7 1/20 0.64
TUBA1B P68363 1/20 0.64
TUBA4A P68366 1/20 0.64
TUBB4B P68371 1/20 0.64
TUBB3 Q13509 1/20 0.64
TUBB2A Q13885 1/20 0.64
TUBB8 Q3ZCM7 1/20 0.64

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
SCHEMBL3943719 1.00 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL3943724 0.88 HDAC1 (0.79) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL3944996 0.88 HDAC1 (0.79) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL3941396 0.85 HDAC1 (0.74) HDAC1HDAC2CA12CA9KMT2A
SCHEMBL3945930 0.85 HDAC1 (0.74) HDAC1HDAC2CA12CA9KMT2A
SCHEMBL9697341 0.84 HDAC1 (0.72) HDAC1HDAC2CA12CA9KMT2A
SCHEMBL9697407 0.84 HDAC1 (0.72) HDAC1HDAC2CA12CA9KMT2A
SCHEMBL9697335 0.82 HDAC1 (0.70) HDAC1HDAC2CA12CA9KMT2A
SCHEMBL9696765 0.82 HDAC1 (0.70) HDAC1HDAC2CA12CA9KMT2A
SCHEMBL13606224 0.81 CA12 (0.76) HDAC1HDAC2CA12CA9KMT2A

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 4 patents. 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 claimed
EP-2045246-A1 DERIVATIVES OF BENZO[D] ISOTHIAZOLES AS HISTONE DEACETYLASE INHIBITORS Universidad De Granada (ES) 2009-04-08 EP claimed
US-20090312377-A1 DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONES DEACETYLASE INHIBITORS UNIVERSIDAD DE GRANADA (ES) 2009-12-17 US disclosed
EP-2045246-A1 DERIVATIVES OF BENZO[D] ISOTHIAZOLES AS HISTONE DEACETYLASE INHIBITORS Universidad De Granada (ES) 2009-04-08 EP 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 HDAC1 1/4885HDAC2 2/4885HDAC8 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.