SCHEMBL3420895

SCHEMBL3420895

CN(C)Cc1cccc(-c2cccc(S(=O)(=O)n3ccc(/C=C/C(=O)NOC4CCCCO4)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.49
HDAC6 Q9UBN7 8/20 0.49
HDAC3 O15379 6/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC2 Q92769 6/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
KDM1A O60341 1/20 0.36
TGFBR1 P36897 1/20 0.35
HDAC4 P56524 3/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRD7 Q9NPI1 1/20 0.34
NMT1 P30419 1/20 0.33
BDKRB1 P46663 1/20 0.33
MEF2D Q14814 1/20 0.33

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
SCHEMBL3420900 1.00 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3133369 0.95 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3145107 0.95 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3145100 0.95 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3133377 0.95 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3145105 0.90 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3145111 0.90 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3136925 0.89 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3136918 0.89 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL3260563 0.89 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666868-B2 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders 4SC AG (DE) 2010-02-23 US disclosed
EP-1861365-B1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-07-01 EP disclosed
US-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders NYCOMED GMBH (DE) 2008-07-24 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-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders HDAC1, H1-3, HDAC2 HDAC1 1/4885HDAC6 17/4885HDAC3 11/4885

“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.