SCHEMBL6912908

SCHEMBL6912908

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(c2nc3ccccc3o2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
TSHR P16473 1/20 0.57
HDAC4 P56524 7/20 0.56
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MGLL Q99685 2/20 0.52
HDAC6 Q9UBN7 3/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC2 Q92769 1/20 0.50
NAAA Q02083 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13838162 0.86 LMNA (0.62) LMNATSHRHTTSMN1; SMN2MGLL
SCHEMBL2228116 0.83 HDAC4 (0.60) HDAC4SMN1; SMN2MGLLHDAC6HDAC8
SCHEMBL2223637 0.81 ALDH1A1 (0.61) LMNATSHRHDAC4SMN1; SMN2MGLL
SCHEMBL2227129 0.81 HDAC4 (0.71) LMNATSHRHDAC4SMN1; SMN2MGLL
SCHEMBL6914969 0.81 MGLL (0.65) HDAC4MGLLHDAC6HDAC8HDAC2
SCHEMBL2226604 0.81 SLC6A7 (0.62) LMNATSHRHDAC4SMN1; SMN2MGLL
SCHEMBL2223611 0.80 HDAC4 (0.59) TSHRHDAC4HDAC6HDAC8HDAC2
SCHEMBL2226211 0.80 MGLL (0.55) HDAC4MGLLHDAC6HDAC8HDAC2
SCHEMBL2227381 0.80 HDAC4 (0.67) LMNATSHRHDAC4HTTSMN1; SMN2
SCHEMBL2224997 0.79 HDAC4 (0.66) LMNATSHRHDAC4HTTSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 LMNA 222/4885TSHR 1705/4885HDAC4 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.