SCHEMBL2227438

SCHEMBL2227438

COC(=O)C1CN(c2ccc(C#N)cn2)CCN1C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
HDAC6 Q9UBN7 10/20 0.41
HDAC8 Q9BY41 9/20 0.41
TIPARP Q7Z3E1 4/20 0.40
HDAC1 Q13547 4/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
CNR2 P34972 1/20 0.37
HDAC4 P56524 1/20 0.37
CHRM4 P08173 1/20 0.37
FASN P49327 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37

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
SCHEMBL2224823 0.91 GRM5 (0.42) GRM5HDAC6HDAC8TIPARPHDAC1
SCHEMBL13838079 0.90 GRM5 (0.44) GRM5CNR2CHRM4FASNPARP1
SCHEMBL2225828 0.89 PARP1 (0.45) GRM5HDAC6HDAC8TIPARPHDAC1
SCHEMBL2226111 0.87 HDAC6 (0.48) HDAC6HDAC8TIPARPHDAC1PDK1
SCHEMBL2226665 0.83 HDAC4 (0.52) HDAC6HDAC8TIPARPCNR2HDAC4
SCHEMBL13837888 0.82 GRM5 (0.46) GRM5CNR2CHRM4FASNPARP1
SCHEMBL2225164 0.82 PDK1 (0.44) GRM5HDAC6HDAC8TIPARPHDAC1
SCHEMBL2225124 0.81 HDAC6 (0.50) HDAC6HDAC8TIPARPCNR2HDAC4
SCHEMBL2226039 0.80 CHRM1 (0.44) GRM5HDAC6HDAC8TIPARPHDAC1
SCHEMBL13838109 0.80 GRM5 (0.46) GRM5PDK1PDK2CHRM4PARP1

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 GRM5 3203/4885HDAC6 1763/4885HDAC8 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.