SCHEMBL2275210

SCHEMBL2275210

CC(C)(CC/C(N)=N\O)C(=O)NCC(C)(C)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.34
CFTR P13569 3/20 0.34
PDE4B Q07343 3/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
PDE4D Q08499 1/20 0.31

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
SCHEMBL12517097 1.00 HDAC8 (0.40) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL2275217 1.00 HDAC8 (0.40) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL12518546 0.86 HDAC8 (0.40) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL2267435 0.86 HDAC8 (0.40) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL2267431 0.86 HDAC8 (0.40) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL2221029 0.82 HDAC1 (0.37) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL2267220 0.81 HDAC8 (0.42) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL14243877 0.79 HDAC1 (0.34) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL12518796 0.79 HDAC1 (0.34) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL2221319 0.76 HDAC4 (0.53) HDAC8HDAC1HDAC4HDAC7HDAC9

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-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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 (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-20120322827-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC8 2221/4885HDAC1 1086/4885HDAC4 2086/4885

“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.