SCHEMBL14645546

SCHEMBL14645546

O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 14/20 1.00
HDAC6 Q9UBN7 14/20 1.00
HDAC1 Q13547 5/20 0.64
HDAC5 Q9UQL6 4/20 0.64
HDAC3 O15379 3/20 0.64
HDAC7 Q8WUI4 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC9 Q9UKV0 2/20 0.61
NCOR2 Q9Y618 2/20 0.61
ALDH1A1 P00352 1/20 0.61
TSHR P16473 1/20 0.57

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
SCHEMBL21407358 0.87 HDAC6 (0.75) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL20593260 0.84 HDAC4 (0.79) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL19437204 0.81 HDAC4 (0.79) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL20593420 0.81 HDAC4 (0.91) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14645445 0.81 HDAC4 (1.00) HDAC4HDAC6HDAC1HDAC8
SCHEMBL20593765 0.81 HDAC6 (0.69) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL20838112 0.79 HDAC4 (0.74) HDAC4HDAC6HDAC1HDAC8
SCHEMBL14918623 0.79 HDAC6 (0.65) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL19745500 0.78 HDAC6 (1.00) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL18824431 0.78 HDAC4 (0.69) HDAC4HDAC6HDAC1HDAC5HDAC3

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 18 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 claimed
US-9056843-B2 Trifluoromethyl-oxadiazole derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-06-16 US claimed
US-20140142105-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-05-22 US claimed
EP-2729454-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2014-05-14 EP claimed
CN-103764635-A Novel trifluoromethyl-oxadiazole derivatives and their use in the treatment of disease NOVARTIS AG 2014-04-30 CN claimed
WO-2013008162-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2013-01-17 WO claimed
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-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
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
CN-103764635-A Novel trifluoromethyl-oxadiazole derivatives and their use in the treatment of disease NOVARTIS AG 2014-04-30 CN 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.