SCHEMBL2223478

SCHEMBL2223478

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(c2nccc(-c3ccccc3)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.58
SLC6A7 Q99884 6/20 0.55
PKM P14618 1/20 0.52
MGLL Q99685 1/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC5 Q9UQL6 2/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HDAC1 Q13547 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 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
SCHEMBL2226604 0.90 SLC6A7 (0.62) HDAC4SLC6A7MGLLHDAC6HDAC8
SCHEMBL13838151 0.86 SLC6A7 (0.58) SLC6A7PKMMGLLKDM4EHCAR2
SCHEMBL2223611 0.83 HDAC4 (0.59) HDAC4SLC6A7HDAC6HDAC8HDAC2
SCHEMBL2227129 0.82 HDAC4 (0.71) HDAC4SLC6A7MGLLHDAC6HDAC8
SCHEMBL2227381 0.81 HDAC4 (0.67) HDAC4MGLLHDAC6HDAC8HDAC2
SCHEMBL2228753 0.81 HDAC4 (0.56) HDAC4SLC6A7MGLLHDAC6HDAC8
SCHEMBL2228116 0.81 HDAC4 (0.60) HDAC4MGLLHDAC6HDAC8HDAC2
SCHEMBL2223637 0.81 ALDH1A1 (0.61) HDAC4MGLLHDAC6HDAC8HDAC2
SCHEMBL2228781 0.80 HSD11B1 (0.63) HDAC4SLC6A7MGLLHDAC6HDAC8
SCHEMBL2225868 0.80 SLC6A7 (0.55) HDAC4SLC6A7MGLLHDAC6HDAC8

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 2773/4885SLC6A7 2515/4885PKM 3361/4885

“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.