SCHEMBL8446072

SCHEMBL8446072

CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)Cl)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.78
▸ HDAC1 Q13547 8/20 0.78
▸ HDAC3 O15379 4/20 0.76
▸ HDAC8 Q9BY41 2/20 0.76
▸ HDAC2 Q92769 6/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ LSS P48449 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.37
▸ HDAC4 P56524 2/20 0.36
▸ MEF2D Q14814 1/20 0.36
▸ MMP9 P14780 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.34
▸ GPR183 P32249 1/20 0.34

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
Hydrochloric Acid SCHEMBL1890253 0.99 HDAC6 (0.78) HDAC6HDAC1HDAC3HDAC8HDAC2
Hydrochloric Acid SCHEMBL1890256 0.99 HDAC6 (0.78) HDAC6HDAC1HDAC3HDAC8HDAC2
SCHEMBL8446079 0.89 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC8HDAC2
Hydrochloric Acid SCHEMBL1888891 0.88 HDAC6 (0.80) HDAC6HDAC1HDAC3HDAC8HDAC2
Hydrochloric Acid SCHEMBL1888889 0.88 HDAC6 (0.80) HDAC6HDAC1HDAC3HDAC8HDAC2
Resminostat SCHEMBL295540 0.87 HDAC1 (1.00) HDAC6HDAC1HDAC3HDAC8HDAC2
Resminostat SCHEMBL295541 0.87 HDAC1 (1.00) HDAC6HDAC1HDAC3HDAC8HDAC2
Resminostat SCHEMBL1887874 0.86 HDAC1 (1.00) HDAC6HDAC1HDAC3HDAC8HDAC2
Resminostat SCHEMBL1887878 0.86 HDAC1 (1.00) HDAC6HDAC1HDAC3HDAC8HDAC2
Resminostat SCHEMBL299845 0.85 HDAC1 (0.96) HDAC6HDAC1HDAC3HDAC8HDAC2

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-8785659-B2 Method for the production of sulphonylpyrroles as HDAC inhibitors 4SC AG (DE) 2014-07-22 — — US disclosed
US-20110105568-A1 NOVEL METHOD FOR THE PRODUCTION OF SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2011-05-05 — — US disclosed
WO-2009112529-A1 NOVEL METHOD FOR THE PRODUCTION OF SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2009-09-17 — — WO disclosed
EP-2100878-A1 Novel method for the production of sulphonylpyrroles as HDAC inhibitors 4SC AG (DE) 2009-09-16 — — 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-20110105568-A1 NOVEL METHOD FOR THE PRODUCTION OF SULPHONYLPYRROLES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC6 10/4885HDAC1 1/4885HDAC3 3/4885

“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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