SCHEMBL2226682

SCHEMBL2226682

O=C(CCc1nc(-c2ccc(F)cc2)cs1)Nc1cccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.45
HDAC4 P56524 7/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
CNR2 P34972 1/20 0.41
FFAR1 O14842 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL2274922 0.82 HDAC4 (0.57) HDAC6HDAC4HDAC8HDAC1HDAC7
SCHEMBL2283028 0.75 HDAC6 (0.66) HDAC6HDAC4HDAC8HDAC1HDAC7
SCHEMBL2283891 0.75 HDAC4 (0.49) HDAC6HDAC4HDAC8HDAC1HDAC7
SCHEMBL2363542 0.75 HDAC4 (0.56) HDAC6HDAC4HDAC8HDAC1HDAC7
SCHEMBL2357854 0.74 HDAC4 (0.48) HDAC6HDAC4HDAC8HDAC1HDAC7
SCHEMBL2362956 0.74 HDAC4 (0.62) HDAC6HDAC4HDAC8HDAC1HDAC7
SCHEMBL2229092 0.72 HDAC6 (0.47) HDAC6HDAC4HDAC8HDAC1HDAC7
SCHEMBL6975983 0.72 HDAC4 (0.59) HDAC6HDAC4HDAC8HDAC1HDAC7
SCHEMBL6976909 0.72 HDAC4 (0.56) HDAC6HDAC4HDAC8HDAC1HDAC7
SCHEMBL10559176 0.71 HDAC4 (0.56) HDAC6HDAC4HDAC8HDAC1

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 20 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
WO-2013009830-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-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
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 HDAC6 1474/4885HDAC4 1441/4885HDAC8 1583/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC6 1474/4885HDAC4 1441/4885HDAC8 1583/4885

“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.