SCHEMBL4828828

SCHEMBL4828828

COC(=O)c1ccc(CO/N=C/c2ccc(C(C)(C)C)cc2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
LMNA P02545 3/20 0.48
RECQL P46063 1/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4828831 1.00 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4830992 0.89 LMNA (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4831004 0.89 LMNA (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4828999 0.74 LMNA (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4828995 0.74 LMNA (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26615858 0.74 CFTR (0.47) HDAC1LMNARAB9ANPC1CA1
SCHEMBL4795735 0.70 GAA (0.46) CA1CA2MAPTKDM4EHTT
SCHEMBL13182869 0.70 ALDH1A1 (0.47) RAB9ANPC1CA1CA2SMN1; SMN2
SCHEMBL4801364 0.70 MAPT (0.50) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL23662563 0.69 CYP3A4 (0.47) RAB9ANPC1CA1CA2SMN1; SMN2

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-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 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 (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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 HDAC3 907/4885HDAC4 1582/4885HDAC1 2199/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 HDAC3 1101/4885HDAC4 1933/4885HDAC1 2319/4885

“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.