SCHEMBL2226069

SCHEMBL2226069

N#Cc1cccnc1N1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PARP1 P09874 9/20 0.53
PARP2 Q9UGN5 9/20 0.53
PARP3 Q9Y6F1 9/20 0.53
HDAC4 P56524 6/20 0.52
TNKS O95271 1/20 0.49
PARP6 Q2NL67 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
HDAC6 Q9UBN7 3/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC2 Q92769 1/20 0.48
HSD11B1 P28845 1/20 0.47
POLB P06746 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
SCHEMBL2223596 0.89 HDAC4 (0.52) KDM4EALDH1A1TDP1PARP1PARP2
SCHEMBL2224982 0.88 HDAC4 (0.57) KDM4EALDH1A1HDAC4HDAC6HDAC8
SCHEMBL2228781 0.88 HSD11B1 (0.63) HDAC4HDAC6HDAC8HDAC2HSD11B1
SCHEMBL2227593 0.85 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2226604 0.84 SLC6A7 (0.62) KDM4EALDH1A1HDAC4HDAC6HDAC8
SCHEMBL2227491 0.83 HDAC4 (0.46) HDAC4HDAC6HDAC8HDAC2
SCHEMBL2227789 0.82 HDAC4 (0.62) KDM4EHDAC4HDAC6HDAC8HDAC2
SCHEMBL2223611 0.82 HDAC4 (0.59) KDM4EALDH1A1HDAC4HDAC6HDAC8
SCHEMBL2226665 0.81 HDAC4 (0.52) ALDH1A1PARP1HDAC4HDAC6HDAC8
SCHEMBL2227709 0.81 STAT3 (0.51) KDM4EHDAC4HDAC6HDAC8HDAC2

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
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
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 KDM4E 2352/4885ALDH1A1 1319/4885TDP1 2168/4885

“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.