SCHEMBL2227112

SCHEMBL2227112

O=C(O)CCNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.60
HDAC1 Q13547 8/20 0.60
HDAC7 Q8WUI4 5/20 0.60
HDAC8 Q9BY41 5/20 0.60
HDAC9 Q9UKV0 5/20 0.60
HDAC5 Q9UQL6 5/20 0.60
HDAC6 Q9UBN7 15/20 0.59
HDAC3 O15379 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
NCOR2 Q9Y618 1/20 0.52

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
SCHEMBL2225078 0.88 HDAC4 (0.61) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL14554362 0.87 HDAC4 (0.76) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL2283701 0.85 HDAC4 (0.66) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL29757325 0.84 HDAC6 (0.78) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL14485041 0.84 HDAC4 (0.63) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL14485358 0.83 HDAC4 (0.61) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL25254573 0.83 KIFC1 (0.60) HDAC1HDAC6
SCHEMBL30497131 0.83 KIFC1 (0.60) HDAC1HDAC6
SCHEMBL2283964 0.81 HDAC4 (0.61) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL6976422 0.81 HDAC4 (0.58) HDAC4HDAC1HDAC7HDAC8HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-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 (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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC4 1441/4885HDAC1 640/4885HDAC7 1956/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC4 1441/4885HDAC1 640/4885HDAC7 1956/4885

“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.