SCHEMBL2224337

SCHEMBL2224337

COc1cccc(N2CCN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.62
ALDH1A1 P00352 4/20 0.55
HDAC6 Q9UBN7 4/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC2 Q92769 1/20 0.53
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 2/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RAB9A P51151 2/20 0.51
HPGD P15428 2/20 0.50
CYP2C9 P11712 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SCD5 Q86SK9 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL2226605 0.93 HDAC4 (0.62) HDAC4ALDH1A1HDAC6HDAC8HDAC2
SCHEMBL2227129 0.88 HDAC4 (0.71) HDAC4ALDH1A1HDAC6HDAC8HDAC2
SCHEMBL2224997 0.88 HDAC4 (0.66) HDAC4ALDH1A1HDAC6HDAC8HDAC2
SCHEMBL2227145 0.88 HDAC4 (0.52) HDAC4ALDH1A1HDAC6HDAC8HDAC2
SCHEMBL13838146 0.87 ALDH1A1 (0.59) ALDH1A1MAPTTP53HTTSMN1; SMN2
SCHEMBL2227984 0.86 HDAC4 (0.61) HDAC4HDAC6HDAC8HDAC2MAPT
SCHEMBL2227592 0.86 HDAC4 (0.61) HDAC4ALDH1A1HDAC6HDAC8HDAC2
SCHEMBL2226468 0.86 HDAC4 (0.52) HDAC4ALDH1A1HDAC6HDAC8HDAC2
SCHEMBL2227381 0.85 HDAC4 (0.67) HDAC4ALDH1A1HDAC6HDAC8HDAC2
SCHEMBL2224348 0.84 HDAC4 (0.56) HDAC4ALDH1A1HDAC6HDAC8HDAC2

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 HDAC4 2773/4885ALDH1A1 1319/4885HDAC6 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.