SCHEMBL8243307

SCHEMBL8243307

O=C(/C=C/c1ccc(CNCCOc2ccccc2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 1.00
▸ HDAC3 O15379 15/20 1.00
▸ HDAC2 Q92769 15/20 1.00
▸ HDAC8 Q9BY41 15/20 1.00
▸ HDAC4 P56524 9/20 1.00
▸ HDAC7 Q8WUI4 9/20 1.00
▸ HDAC10 Q969S8 9/20 1.00
▸ HDAC11 Q96DB2 9/20 1.00
▸ HDAC6 Q9UBN7 9/20 1.00
▸ HDAC9 Q9UKV0 9/20 1.00
▸ HDAC5 Q9UQL6 9/20 1.00
▸ RAB9A P51151 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ DRD4 P21917 1/20 0.58
▸ KCNH2 Q12809 2/20 0.54

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
SCHEMBL28413038 0.81 GSK3B (0.69) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL8278533 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL13949978 0.80 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL15482227 0.78 HDAC8 (0.70) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL8244956 0.77 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL8740486 0.76 DRD4 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL8243311 0.75 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL6832002 0.75 DRD4 (0.77) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL8179235 0.75 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL13429097 0.75 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012066-A1 Method of Use of Deacetylase Inhibitors NOVARTIS AG 2009-01-08 — — US disclosed
US-20090012066-A1 Method of Use of Deacetylase Inhibitors NOVARTIS AG 2009-01-08 — — US disclosed
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 — — US disclosed
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 — — US disclosed
EP-1870399-A1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2007-12-26 — — EP disclosed
EP-1318980-B1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2007-10-31 — — EP disclosed
WO-2007021682-A1 METHOD OF USE OF DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2007-02-22 — — WO 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 (2 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-20080176849-A1 DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC2 9/4885
US-20090012066-A1 Method of Use of Deacetylase Inhibitors HDAC3, HDAC5, HDAC1 HDAC1 3/4885HDAC3 1/4885HDAC2 7/4885

“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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