SCHEMBL2224355

SCHEMBL2224355

CC1(C)CN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CCN1c1ccc(C#N)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.44
HDAC4 P56524 9/20 0.44
HDAC8 Q9BY41 9/20 0.44
HDAC2 Q92769 1/20 0.44
TIPARP Q7Z3E1 3/20 0.43
HDAC1 Q13547 3/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
HDAC7 Q8WUI4 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL13838118 0.89 RHOA (0.42) TIPARPPDK1PDK2
SCHEMBL2226665 0.87 HDAC4 (0.52) HDAC6HDAC4HDAC8HDAC2TIPARP
SCHEMBL2225124 0.86 HDAC6 (0.50) HDAC6HDAC4HDAC8HDAC2TIPARP
SCHEMBL2226039 0.85 CHRM1 (0.44) HDAC6HDAC4HDAC8HDAC2TIPARP
SCHEMBL2226710 0.84 HDAC6 (0.48) HDAC6HDAC4HDAC8HDAC2TIPARP
SCHEMBL2224359 0.83 PDK1 (0.49) HDAC6HDAC4HDAC8HDAC2TIPARP
SCHEMBL2224008 0.82 HDAC6 (0.48) HDAC6HDAC4HDAC8HDAC2TIPARP
SCHEMBL2226111 0.82 HDAC6 (0.48) HDAC6HDAC4HDAC8HDAC2TIPARP
SCHEMBL13838822 0.81 HDAC6 (0.47) HDAC6HDAC4HDAC8HDAC2TIPARP
SCHEMBL2225164 0.79 PDK1 (0.44) HDAC6HDAC4HDAC8TIPARPHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013009827-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO claimed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US claimed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
WO-2013009827-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088192-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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B HDAC6 1763/4885HDAC4 2773/4885HDAC8 2959/4885

“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.