SCHEMBL6976422

SCHEMBL6976422

O=C(NCCc1ncc(-c2ccccc2)s1)c1cccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 16/20 0.58
HDAC6 Q9UBN7 15/20 0.56
HDAC1 Q13547 8/20 0.56
HDAC8 Q9BY41 5/20 0.55
HDAC5 Q9UQL6 4/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 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
SCHEMBL2283632 0.86 HDAC4 (0.60) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL2283701 0.84 HDAC4 (0.66) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL2281095 0.82 HDAC4 (0.70) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL2227112 0.81 HDAC4 (0.60) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL2283964 0.80 HDAC4 (0.61) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL2276519 0.80 HDAC4 (0.69) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL2362956 0.79 HDAC4 (0.62) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL29757325 0.79 HDAC6 (0.78) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14554362 0.79 HDAC4 (0.76) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL2274922 0.79 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC8HDAC5

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 14 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 claimed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US claimed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US claimed
WO-2013009810-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO claimed
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-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
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 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 1441/4885HDAC6 1474/4885HDAC1 640/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC4 1441/4885HDAC6 1474/4885HDAC1 640/4885

“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.