SCHEMBL4830992

SCHEMBL4830992

CC(C)(C)c1ccc(/C=N/OCc2ccc(C(=O)O)c(Br)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
RECQL P46063 1/20 0.47
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
NR1H4 Q96RI1 3/20 0.40
EPHX2 P34913 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
MEN1 O00255 2/20 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
SCHEMBL4831004 1.00 LMNA (0.48) LMNARECQLHDAC3HDAC4HDAC1
SCHEMBL4828828 0.89 HDAC3 (0.50) LMNARECQLHDAC3HDAC4HDAC1
SCHEMBL4828831 0.89 HDAC3 (0.50) LMNARECQLHDAC3HDAC4HDAC1
SCHEMBL4828995 0.78 LMNA (0.54) LMNARECQLHDAC3HDAC4HDAC1
SCHEMBL4828999 0.78 LMNA (0.54) LMNARECQLHDAC3HDAC4HDAC1
SCHEMBL4826380 0.73 XDH (0.46) LMNARECQLSPHK2SPHK1MEN1
SCHEMBL4826388 0.73 XDH (0.46) LMNARECQLSPHK2SPHK1MEN1
SCHEMBL4830955 0.71 PSEN1 (0.43) LMNARECQLSPHK2SPHK1MEN1
SCHEMBL4830948 0.71 PSEN1 (0.43) LMNARECQLSPHK2SPHK1MEN1
SCHEMBL2346964 0.71 TDP1 (0.56) HDAC1CA2CA1NR1H4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US claimed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 US claimed
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 LMNA 2902/4885RECQL 2744/4885HDAC3 907/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 LMNA 2783/4885RECQL 2825/4885HDAC3 1101/4885

“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.