SCHEMBL3420883

SCHEMBL3420883

CN1CCN(c2ncccc2-c2ccc(S(=O)(=O)n3ccc(C=CC(=O)Nc4ccccc4N)c3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.66
▸ HDAC2 Q92769 11/20 0.66
▸ HDAC3 O15379 4/20 0.66
▸ HDAC10 Q969S8 3/20 0.66
▸ HDAC11 Q96DB2 3/20 0.66
▸ HDAC9 Q9UKV0 3/20 0.66
▸ KDM1A O60341 1/20 0.66
▸ HDAC6 Q9UBN7 4/20 0.46
▸ HDAC8 Q9BY41 3/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC5 Q9UQL6 2/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ INSR P06213 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ PLK1 P53350 1/20 0.46

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
SCHEMBL3420879 1.00 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL3137176 0.85 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL3137166 0.85 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL20797207 0.80 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC10HDAC11
Domatinostat SCHEMBL30477018 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC10HDAC11
Domatinostat SCHEMBL1613943 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC10HDAC11
Domatinostat SCHEMBL1613939 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL297354 0.80 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL297353 0.80 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL3418242 0.80 HDAC1 (0.41) HDAC1HDAC2HDAC3HDAC10HDAC11

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 2 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
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 1/4885HDAC2 3/4885HDAC3 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.

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