SCHEMBL2267220

SCHEMBL2267220

CC(C)(CCC#N)C(=O)NCC(C)(C)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.36
PDE4B Q07343 3/20 0.34
PDE4D Q08499 1/20 0.34
LGMN Q99538 1/20 0.33
ALOX15 P16050 1/20 0.32
SMO Q99835 1/20 0.32

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
SCHEMBL2274396 0.85 HDAC8 (0.41) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL2275217 0.81 HDAC8 (0.40) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL2275210 0.81 HDAC8 (0.40) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL12517097 0.81 HDAC8 (0.40) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL2224093 0.80 HDAC8 (0.37) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL2221319 0.78 HDAC4 (0.53) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL2271369 0.78 ALDH1A1 (0.36) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL2221808 0.75 HDAC8 (0.37) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL6977119 0.74 PPARG (0.47) HDAC8HDAC1HDAC4HDAC7HDAC9
SCHEMBL14672201 0.73 LMNA (0.39) 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 5 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
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
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.