SCHEMBL2224359

SCHEMBL2224359

CC1CN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC(C)N1c1ccc(C#N)cn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.49
PDK2 Q15119 2/20 0.49
HDAC6 Q9UBN7 9/20 0.43
HDAC8 Q9BY41 7/20 0.43
CHRM1 P11229 1/20 0.42
HDAC4 P56524 7/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 1/20 0.41
GRM5 P41594 1/20 0.41
TIPARP Q7Z3E1 2/20 0.40
FASN P49327 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
SCHEMBL2226710 0.90 HDAC6 (0.48) PDK1PDK2HDAC6HDAC8CHRM1
SCHEMBL13838009 0.88 PDK1 (0.46) PDK1PDK2CHRM1GRM5FASN
SCHEMBL2225164 0.87 PDK1 (0.44) PDK1PDK2HDAC6HDAC8CHRM1
SCHEMBL2225828 0.85 PARP1 (0.45) PDK1PDK2HDAC6HDAC8CHRM1
SCHEMBL2227092 0.85 HDAC6 (0.47) PDK1PDK2HDAC6HDAC8HDAC4
SCHEMBL2226665 0.85 HDAC4 (0.52) HDAC6HDAC8HDAC4HDAC2TIPARP
SCHEMBL2224008 0.83 HDAC6 (0.48) HDAC6HDAC8HDAC4HDAC1HDAC2
SCHEMBL2226111 0.83 HDAC6 (0.48) PDK1PDK2HDAC6HDAC8HDAC4
SCHEMBL13838822 0.83 HDAC6 (0.47) PDK1PDK2HDAC6HDAC8HDAC4
SCHEMBL2224355 0.83 HDAC6 (0.44) PDK1PDK2HDAC6HDAC8HDAC4

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
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US claimed
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
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 PDK1 2190/4885PDK2 1280/4885HDAC6 1763/4885

“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.