SCHEMBL724548

SCHEMBL724548

O=C(C=Cc1ccc(CN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)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
KCNH2 Q12809 12/20 1.00
HTR2A P28223 3/20 0.69
DRD2 P14416 2/20 0.69
HTR2C P28335 2/20 0.69
HDAC6 Q9UBN7 5/20 0.60
HDAC3 O15379 4/20 0.60
HDAC4 P56524 4/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56

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
SCHEMBL724547 1.00 HDAC1 (1.00) HDAC1KCNH2HTR2ADRD2HTR2C
SCHEMBL727481 0.90 HDAC1 (1.00) HDAC1KCNH2HTR2ADRD2HTR2C
SCHEMBL6865998 0.90 HDAC1 (1.00) HDAC1KCNH2HTR2ADRD2HTR2C
SCHEMBL1486909 0.90 HDAC1 (1.00) HDAC1KCNH2HTR2ADRD2HTR2C
SCHEMBL727482 0.90 HDAC1 (1.00) HDAC1KCNH2HTR2ADRD2HTR2C
SCHEMBL721805 0.88 HDAC1 (1.00) HDAC1KCNH2HTR2ADRD2HTR2C
SCHEMBL725420 0.88 HDAC1 (1.00) HDAC1KCNH2HTR2ADRD2HTR2C
SCHEMBL1486874 0.86 HDAC1 (1.00) HDAC1KCNH2HTR2ADRD2HTR2C
SCHEMBL1486872 0.86 HDAC1 (1.00) HDAC1KCNH2HTR2ADRD2HTR2C
SCHEMBL30213 0.85 HDAC1 (1.00) HDAC1KCNH2HDAC6HDAC3HDAC4

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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US claimed
WO-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 3415/4885HTR2A 2151/4885

“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.