SCHEMBL2226665

SCHEMBL2226665

N#Cc1ccc(N2CCN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.52
TIPARP Q7Z3E1 4/20 0.51
HDAC6 Q9UBN7 4/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC2 Q92769 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
MGLL Q99685 2/20 0.46
CNR2 P34972 1/20 0.45
PARP1 P09874 1/20 0.44
TNK1 Q13470 1/20 0.44
FASN P49327 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
SCHEMBL2225124 0.97 HDAC6 (0.50) HDAC4TIPARPHDAC6HDAC8HDAC2
SCHEMBL2227789 0.88 HDAC4 (0.62) HDAC4HDAC6HDAC8HDAC2LMNA
SCHEMBL2224355 0.87 HDAC6 (0.44) HDAC4TIPARPHDAC6HDAC8HDAC2
SCHEMBL6913640 0.87 HDAC4 (0.54) HDAC4HDAC6HDAC8HDAC2ALDH1A1
SCHEMBL2224008 0.86 HDAC6 (0.48) HDAC4TIPARPHDAC6HDAC8HDAC2
SCHEMBL2225828 0.86 PARP1 (0.45) TIPARPHDAC6HDAC8PARP1
SCHEMBL2226039 0.86 CHRM1 (0.44) HDAC4TIPARPHDAC6HDAC8HDAC2
SCHEMBL2226710 0.86 HDAC6 (0.48) HDAC4TIPARPHDAC6HDAC8HDAC2
SCHEMBL2224823 0.86 GRM5 (0.42) HDAC4TIPARPHDAC6HDAC8
SCHEMBL13838822 0.86 HDAC6 (0.47) HDAC4TIPARPHDAC6HDAC8HDAC2

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 15 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-20200268720-A1 METHODS OF USE OF A CLASS IIA HDAC INHIBITOR GLAXOSMITHKLINE LLC 2020-08-27 US disclosed
EP-3393458-A1 METHODS OF USE OF A CLASS llA HDAC INHIBITOR GlaxoSmithKline LLC (US) 2018-10-31 EP disclosed
WO-2017112838-A1 METHODS OF USE OF A CLASS llA HDAC INHIBITOR GLAXOSMITHKLINE LLC (US) 2017-06-29 WO disclosed
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
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
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

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-20200268720-A1 METHODS OF USE OF A CLASS IIA HDAC INHIBITOR HDAC7, HDAC8, HDAC5 HDAC4 7/4885TIPARP 649/4885HDAC6 9/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B HDAC4 2773/4885TIPARP 4018/4885HDAC6 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.