SCHEMBL2225124

SCHEMBL2225124

N#Cc1ccc(N2CCCN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.50
HDAC8 Q9BY41 2/20 0.50
CNR2 P34972 1/20 0.50
HDAC4 P56524 5/20 0.49
TIPARP Q7Z3E1 4/20 0.49
FASN P49327 6/20 0.46
HDAC2 Q92769 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
PARP1 P09874 1/20 0.43
TNK1 Q13470 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL2226665 0.97 HDAC4 (0.52) HDAC6HDAC8CNR2HDAC4TIPARP
SCHEMBL2225959 0.88 LMNA (0.58) HDAC6HDAC8CNR2HDAC4HDAC2
SCHEMBL13837979 0.88 CNR2 (0.52) CNR2TIPARPFASNPARP1TNK1
SCHEMBL2224355 0.86 HDAC6 (0.44) HDAC6HDAC8HDAC4TIPARPHDAC2
SCHEMBL2226039 0.85 CHRM1 (0.44) HDAC6HDAC8CNR2HDAC4TIPARP
SCHEMBL2227789 0.85 HDAC4 (0.62) HDAC6HDAC8HDAC4HDAC2LMNA
SCHEMBL6913640 0.84 HDAC4 (0.54) HDAC6HDAC8HDAC4HDAC2MEN1
SCHEMBL2225828 0.83 PARP1 (0.45) HDAC6HDAC8TIPARPPARP1
SCHEMBL2224008 0.83 HDAC6 (0.48) HDAC6HDAC8HDAC4TIPARPHDAC2
SCHEMBL2226710 0.83 HDAC6 (0.48) HDAC6HDAC8HDAC4TIPARPHDAC2

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 11 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
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 1763/4885HDAC8 2959/4885CNR2 421/4885

“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.