SCHEMBL6976913

SCHEMBL6976913

O=C(NCC1(c2nc(-c3ccccn3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.86
HDAC4 P56524 9/20 0.86
HDAC1 Q13547 9/20 0.86
HDAC8 Q9BY41 7/20 0.86
HDAC5 Q9UQL6 5/20 0.86
HDAC7 Q8WUI4 4/20 0.86
HDAC9 Q9UKV0 4/20 0.86
HDAC3 O15379 1/20 0.86
HDAC2 Q92769 1/20 0.86
HDAC10 Q969S8 1/20 0.86
HDAC11 Q96DB2 1/20 0.86
KCNH2 Q12809 1/20 0.47
HPGDS O60760 2/20 0.44
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL29349803 0.92 HDAC4 (1.00) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL6976560 0.92 HDAC4 (1.00) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL6977317 0.91 HDAC6 (0.91) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL2227577 0.89 HDAC4 (0.90) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL6973005 0.89 HDAC6 (0.90) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL2224214 0.89 HDAC6 (0.87) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14752358 0.89 HDAC4 (0.67) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL6975958 0.88 HDAC4 (0.83) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL2227698 0.88 HDAC4 (0.88) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL6976584 0.88 HDAC4 (0.91) HDAC6HDAC4HDAC1HDAC8HDAC5

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 17 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-2013009830-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO 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-2013009830-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
WO-2013009810-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 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 HDAC6 1474/4885HDAC4 1441/4885HDAC1 640/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC6 1474/4885HDAC4 1441/4885HDAC1 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.