SCHEMBL8452272

SCHEMBL8452272

Cn1cc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)Cl)c3)cc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.67
HDAC3 O15379 2/20 0.67
KDM1A O60341 2/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC6 Q9UBN7 3/20 0.47
HDAC8 Q9BY41 1/20 0.47
CCNA2 P20248 7/20 0.44
CDK2 P24941 7/20 0.44
CCNK O75909 2/20 0.41
CDK12 Q9NYV4 2/20 0.41
ESR1 P03372 2/20 0.40
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37

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 SCHEMBL1888629 0.99 HDAC1 (0.66) HDAC1HDAC3KDM1AHDAC2HDAC10
Hydrochloric Acid SCHEMBL1888631 0.99 HDAC1 (0.66) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL12438756 0.90 HDAC1 (0.68) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL1885505 0.89 HDAC1 (0.73) HDAC1HDAC3KDM1AHDAC2HDAC10
Hydrochloric Acid SCHEMBL1889089 0.89 HDAC1 (0.67) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL1885509 0.89 HDAC1 (0.73) HDAC1HDAC3KDM1AHDAC2HDAC10
Hydrochloric Acid SCHEMBL1889091 0.89 HDAC1 (0.67) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL3432084 0.81 HDAC1 (0.81) HDAC1HDAC3KDM1AHDAC2HDAC10
Domatinostat SCHEMBL1613939 0.81 HDAC1 (1.00) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL3432086 0.81 HDAC1 (0.81) HDAC1HDAC3KDM1AHDAC2HDAC10

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 6 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-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
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 HDAC1 1/4885HDAC3 3/4885KDM1A 41/4885

“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.