SCHEMBL2222370

SCHEMBL2222370

CN(C)CCC(CNC(=O)CCCc1ccc(C(=O)C(F)(F)F)s1)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.36
HDAC4 P56524 9/20 0.36
HDAC1 Q13547 9/20 0.36
LMNA P02545 2/20 0.33
MCHR1 Q99705 1/20 0.33
HDAC3 O15379 3/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC8 Q9BY41 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL14297329 0.92 HPGD (0.35) HDAC6HDAC4HDAC1LMNAMCHR1
SCHEMBL2221964 0.83 HDAC6 (0.41) HDAC6HDAC4HDAC1HDAC3HDAC8
SCHEMBL12517334 0.81 HDAC4 (0.39) HDAC6HDAC4HDAC1MCHR1HDAC8
SCHEMBL14297246 0.81 MCHR1 (0.34) HDAC6HDAC4HDAC1LMNAMCHR1
SCHEMBL2345961 0.79 MCHR1 (0.33) HDAC6HDAC4HDAC1LMNAMCHR1
SCHEMBL14243944 0.78 LMNA (0.45) HDAC6HDAC4HDAC1LMNAHDAC3
SCHEMBL14243906 0.77 HDAC1 (0.41) HDAC6HDAC4HDAC1LMNAHDAC3
SCHEMBL2270279 0.72 HDAC4 (0.36) HDAC6HDAC4HDAC1LMNAMCHR1
SCHEMBL14297312 0.70 GAA (0.44) HDAC6HDAC1LMNAGAATSHR
SCHEMBL14297309 0.70 HPGD (0.39) HDAC6HDAC4HDAC1LMNAHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013009812-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC (US) 2013-01-17 WO claimed
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
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 HDAC6 1991/4885HDAC4 2086/4885HDAC1 1086/4885

“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.