SCHEMBL14645802

SCHEMBL14645802

O=C(O)c1c(F)cc(-c2noc(C(F)(F)F)n2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.58
HDAC6 Q9UBN7 11/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC5 Q9UQL6 1/20 0.48
HDAC8 Q9BY41 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
SCHEMBL14645825 0.82 HDAC4 (0.65) HDAC4HDAC6HDAC1
SCHEMBL14918325 0.82 HDAC4 (0.56) HDAC4HDAC6HDAC1
SCHEMBL8809864 0.81 HDAC4 (0.53) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL2229612 0.81 HDAC4 (0.49) HDAC4HDAC6HDAC8
SCHEMBL2224847 0.79 HDAC4 (0.56) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL15726367 0.79 L3MBTL1 (0.47) HDAC4HDAC6
SCHEMBL20528687 0.78 HDAC6 (0.50) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL6976780 0.77 HDAC4 (0.51) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14645472 0.77 HDAC4 (0.69) HDAC4HDAC6HDAC8
SCHEMBL2225430 0.75 HDAC4 (0.49) HDAC4HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729454-B1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2015-09-16 EP disclosed
EP-2729454-B1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2015-09-16 EP disclosed
US-9056843-B2 Trifluoromethyl-oxadiazole derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-06-16 US disclosed
US-9056843-B2 Trifluoromethyl-oxadiazole derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-06-16 US disclosed
US-20140142105-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-05-22 US disclosed
US-20140142105-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-05-22 US disclosed
EP-2729454-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2014-05-14 EP disclosed
WO-2013008162-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2013-01-17 WO disclosed
WO-2013008162-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2013-01-17 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-20140142105-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE HDAC4, HDAC5, HDAC6 HDAC4 1/4885HDAC6 3/4885HDAC1 5/4885

“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.