SCHEMBL2224348

SCHEMBL2224348

COc1ccccc1N1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.56
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 8/20 0.55
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.54
THRB P10828 1/20 0.54
ALDH1A1 P00352 4/20 0.54
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TACR3 P29371 2/20 0.51

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
SCHEMBL2227145 0.90 HDAC4 (0.52) HDAC4KMT2AMEN1MAPTLMNA
SCHEMBL2223637 0.87 ALDH1A1 (0.61) HDAC4KMT2AMEN1LMNAKDM4E
SCHEMBL13838153 0.87 KMT2A (0.60) KMT2AMEN1POLBMAPTLMNA
SCHEMBL2228116 0.87 HDAC4 (0.60) HDAC4KMT2AMEN1MAPTALDH1A1
SCHEMBL2224690 0.85 ALDH1A1 (0.56) HDAC4KMT2AMEN1POLBMAPT
SCHEMBL2224982 0.84 HDAC4 (0.57) HDAC4KMT2AMEN1KDM4EALDH1A1
SCHEMBL2224337 0.84 HDAC4 (0.62) HDAC4MAPTKDM4EALDH1A1HDAC2
SCHEMBL2226605 0.84 HDAC4 (0.62) HDAC4KMT2AMEN1POLBMAPT
SCHEMBL2226468 0.81 HDAC4 (0.52) HDAC4KMT2AMEN1LMNAKDM4E
SCHEMBL2227129 0.81 HDAC4 (0.71) HDAC4KMT2AMEN1POLBMAPT

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 HDAC4 2773/4885KMT2A 2762/4885MEN1 892/4885

“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.