SCHEMBL14645441

SCHEMBL14645441

O=C(NCCO)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 20/20 1.00
HDAC6 Q9UBN7 15/20 1.00
HDAC1 Q13547 5/20 0.78
HDAC2 Q92769 3/20 0.71
HDAC8 Q9BY41 3/20 0.71
HDAC3 O15379 2/20 0.71
HDAC7 Q8WUI4 2/20 0.71
HDAC9 Q9UKV0 2/20 0.71
HDAC5 Q9UQL6 2/20 0.71
HDAC10 Q969S8 1/20 0.71
HDAC11 Q96DB2 1/20 0.71
NCOR2 Q9Y618 1/20 0.70

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
SCHEMBL14645722 0.93 HDAC4 (0.86) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL20838133 0.91 HDAC4 (0.84) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL20838156 0.90 HDAC4 (0.82) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14645579 0.90 HDAC4 (1.00) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL19688889 0.89 HDAC4 (0.81) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL21380522 0.88 HDAC4 (0.78) HDAC4HDAC6HDAC1
SCHEMBL21175512 0.88 HDAC4 (0.78) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14645633 0.88 HDAC4 (1.00) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL20838089 0.87 HDAC4 (0.79) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL19688938 0.86 HDAC4 (0.77) HDAC4HDAC6HDAC1HDAC2HDAC8

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 28 patents — showing the first 20. 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-3291810-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2022-08-10 EP disclosed
CN-107735088-B Histone deacetylase inhibitors, compositions and methods of use thereof CHDI基金会股份有限公司 2021-11-02 CN disclosed
US-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-07-04 US disclosed
US-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-07-04 US disclosed
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-08-21 US disclosed
EP-3291810-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2018-03-14 EP disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 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 (4 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
US-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885HDAC6 9/4885HDAC1 1/4885
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 HDAC4 10/4885HDAC6 9/4885HDAC1 1/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885HDAC6 9/4885HDAC1 1/4885

“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.