SCHEMBL726134

SCHEMBL726134

O=C(C=Cc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)NO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.72
HDAC1 Q13547 6/20 0.72
HDAC3 O15379 5/20 0.72
HDAC4 P56524 5/20 0.72
HDAC7 Q8WUI4 5/20 0.72
HDAC2 Q92769 5/20 0.72
HDAC10 Q969S8 5/20 0.72
HDAC11 Q96DB2 5/20 0.72
HDAC6 Q9UBN7 5/20 0.72
HDAC9 Q9UKV0 5/20 0.72
HDAC5 Q9UQL6 5/20 0.72
BCHE P06276 6/20 0.65
ACHE P22303 6/20 0.65
MAOA P21397 1/20 0.64
CCR3 P51677 1/20 0.60
DRD2 P14416 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR2B P41595 1/20 0.60
SIGMAR1 Q99720 1/20 0.60

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
SCHEMBL726133 1.00 HDAC8 (0.72) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL724056 0.88 HDAC1 (0.69) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL1486886 0.88 HDAC1 (0.69) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL28639623 0.84 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL28639626 0.84 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL1415614 0.81 HDAC8 (0.65) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL1415618 0.81 HDAC8 (0.65) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL1415616 0.81 HDAC8 (0.65) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL30887590 0.81 HDAC1 (0.63) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL1481725 0.81 HDAC1 (0.80) HDAC8HDAC1HDAC3HDAC4HDAC7

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 HDAC8 8/4885HDAC1 1/4885HDAC3 3/4885

“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.