SCHEMBL2222138

SCHEMBL2222138

CC(C)(CNC(=O)CCCc1noc(C(F)(F)F)n1)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 12/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC6 Q9UBN7 8/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
HDAC2 Q92769 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2224874 0.87 HDAC1 (0.41) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2221319 0.87 HDAC4 (0.53) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2351016 0.83 GAA (0.43) HDAC4HDAC7HDAC5HDAC6GAA
SCHEMBL2354587 0.82 HDAC4 (0.45) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2222262 0.81 HDAC4 (0.36) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2222463 0.79 TSHR (0.43) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL14243906 0.79 HDAC1 (0.41) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2274396 0.79 HDAC8 (0.41) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2221985 0.78 HDAC4 (0.44) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL14297309 0.78 HPGD (0.39) HDAC4HDAC1HDAC8HDAC7HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US claimed
WO-2013009812-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC (US) 2013-01-17 WO disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
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 HDAC4 2086/4885HDAC1 1086/4885HDAC8 2221/4885

“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.