SCHEMBL2228781

SCHEMBL2228781

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.63
POLB P06746 1/20 0.56
HDAC4 P56524 6/20 0.55
TRPA1 O75762 2/20 0.52
HDAC6 Q9UBN7 3/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC2 Q92769 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.48
RBP4 P02753 1/20 0.48
SLC6A7 Q99884 1/20 0.47
MGLL Q99685 1/20 0.47

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
SCHEMBL2226069 0.88 KDM4E (0.55) HSD11B1POLBHDAC4HDAC6HDAC8
SCHEMBL2226604 0.88 SLC6A7 (0.62) HDAC4HDAC6HDAC8HDAC2HSD17B10
SCHEMBL2223611 0.85 HDAC4 (0.59) POLBHDAC4HDAC6HDAC8HDAC2
SCHEMBL2223596 0.85 HDAC4 (0.52) HSD11B1HDAC4HDAC6HDAC8HDAC2
SCHEMBL2227381 0.83 HDAC4 (0.67) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL2228753 0.83 HDAC4 (0.56) HDAC4HDAC6HDAC8HDAC2SLC6A7
SCHEMBL2225388 0.82 HDAC4 (0.63) POLBHDAC4HDAC6HDAC8HDAC2
SCHEMBL2223637 0.82 ALDH1A1 (0.61) HDAC4HDAC6HDAC8HDAC2NPSR1
SCHEMBL2228116 0.82 HDAC4 (0.60) HDAC4HDAC6HDAC8HDAC2NPSR1
SCHEMBL2225868 0.81 SLC6A7 (0.55) HDAC4HDAC6HDAC8HDAC2SLC6A7

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 HSD11B1 971/4885POLB 429/4885HDAC4 2773/4885

“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.