SCHEMBL4923899

SCHEMBL4923899

O=C(CCCC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 12/20 1.00
▸ HDAC4 P56524 12/20 1.00
▸ HDAC1 Q13547 12/20 1.00
▸ HDAC7 Q8WUI4 12/20 1.00
▸ HDAC2 Q92769 12/20 1.00
▸ HDAC10 Q969S8 12/20 1.00
▸ HDAC11 Q96DB2 12/20 1.00
▸ HDAC8 Q9BY41 12/20 1.00
▸ HDAC6 Q9UBN7 12/20 1.00
▸ HDAC9 Q9UKV0 12/20 1.00
▸ HDAC5 Q9UQL6 12/20 1.00
▸ MCOLN3 Q8TDD5 3/20 0.56
▸ LMNA P02545 1/20 0.56
▸ AKR1C3 P42330 1/20 0.54
▸ AKR1C1 Q04828 1/20 0.54
▸ PKM P14618 3/20 0.53
▸ TSHR P16473 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL27704040 0.86 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4919803 0.84 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2564550 0.82 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13598712 0.81 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13599113 0.80 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12265862 0.80 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4915081 0.80 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4920179 0.79 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4924818 0.79 HDAC1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4925790 0.78 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 — — US claimed
CN-101155780-A Hydroxamates as histone deacetylase inhibitors and pharmaceutical formulations containing them MENARINI INT OPERATIONS LU SA (LU) 2008-04-02 — — CN claimed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 — — EP claimed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 — — WO claimed
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 — — US disclosed
CN-101155780-A Hydroxamates as histone deacetylase inhibitors and pharmaceutical formulations containing them MENARINI INT OPERATIONS LU SA (LU) 2008-04-02 — — CN 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-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 HDAC3 8/4885HDAC4 9/4885HDAC1 1/4885

“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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