SCHEMBL2224997

SCHEMBL2224997

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(c2cccc(F)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.66
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
SCD O00767 1/20 0.56
HTT P42858 2/20 0.54
HDAC6 Q9UBN7 4/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC2 Q92769 1/20 0.53
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
HDAC1 Q13547 1/20 0.49
MGLL Q99685 1/20 0.49
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL2227129 0.90 HDAC4 (0.71) HDAC4SMN1; SMN2MEN1KMT2APOLB
SCHEMBL2224337 0.88 HDAC4 (0.62) HDAC4SMN1; SMN2HTTHDAC6HDAC8
SCHEMBL2227381 0.87 HDAC4 (0.67) HDAC4SMN1; SMN2HTTHDAC6HDAC8
SCHEMBL2227984 0.87 HDAC4 (0.61) HDAC4SMN1; SMN2MEN1KMT2APOLB
SCHEMBL2227592 0.87 HDAC4 (0.61) HDAC4SMN1; SMN2MEN1KMT2APOLB
SCHEMBL2227590 0.87 HDAC4 (0.61) HDAC4SMN1; SMN2MEN1KMT2APOLB
SCHEMBL2225388 0.87 HDAC4 (0.63) HDAC4SMN1; SMN2MEN1KMT2APOLB
SCHEMBL2225440 0.86 HDAC4 (0.63) HDAC4SMN1; SMN2MEN1KMT2APOLB
SCHEMBL2223637 0.84 ALDH1A1 (0.61) HDAC4SMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL2226604 0.84 SLC6A7 (0.62) HDAC4SMN1; SMN2HDAC6HDAC8HDAC2

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
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
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 (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 2773/4885SMN1; SMN2 2921/4885MEN1 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.