SCHEMBL2226068

SCHEMBL2226068

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCCC(Cc2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.65
HDAC6 Q9UBN7 2/20 0.51
HSD11B1 P28845 3/20 0.51
RIPK1 Q13546 2/20 0.51
HDAC8 Q9BY41 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
RHOA P61586 1/20 0.45
SCD O00767 1/20 0.45
SCD5 Q86SK9 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL13838008 0.86 RHOA (0.59) HDAC4HSD11B1L3MBTL1RHOASCD
SCHEMBL2227588 0.80 MEN1 (0.60) HDAC4HDAC6HDAC8HDAC3HDAC7
SCHEMBL14645751 0.79 HDAC4 (1.00) HDAC4HDAC6HDAC8HDAC3HDAC7
SCHEMBL2224878 0.78 HDAC4 (0.56) HDAC4HDAC6HDAC8HDAC3HDAC7
SCHEMBL2227129 0.76 HDAC4 (0.71) HDAC4HDAC6HDAC8SCD
SCHEMBL2226536 0.75 HDAC4 (0.61) HDAC4HDAC6HDAC8HDAC3HDAC7
SCHEMBL2228048 0.74 GRM5 (0.50) HDAC4HDAC6HSD11B1HDAC8HDAC7
SCHEMBL2225290 0.74 GRM5 (0.54) HDAC4HDAC6HSD11B1HDAC8L3MBTL1
SCHEMBL2223961 0.74 HDAC4 (0.56) HDAC4HDAC6HDAC8HDAC7HDAC9
SCHEMBL2225406 0.74 HDAC4 (0.55) HDAC4HDAC6HDAC8HDAC3HDAC7

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 9 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

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 2773/4885HDAC6 1763/4885HSD11B1 971/4885

“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.