SCHEMBL19744896

SCHEMBL19744896

FC(F)(F)c1nc(-c2ccc(CN(c3ccccn3)c3ccccn3)cc2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 1.00
HDAC1 Q13547 15/20 1.00
HDAC8 Q9BY41 11/20 1.00
HDAC4 P56524 7/20 0.55
HDAC5 Q9UQL6 3/20 0.55
HDAC3 O15379 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55

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
SCHEMBL22971322 0.80 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL21175655 0.80 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL21543784 0.78 HDAC6 (0.76) HDAC6HDAC1HDAC8HDAC5
SCHEMBL21543795 0.78 HDAC6 (0.63) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL19746146 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC4
SCHEMBL20838026 0.77 HDAC4 (0.72) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL21175671 0.76 HDAC6 (0.63) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL19745308 0.76 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL19745085 0.76 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC4
SCHEMBL21422508 0.76 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC4HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190185462-A1 3-ARYL- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONEDEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-20 US claimed
EP-3475275-A1 3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-05-01 EP claimed
WO-2017222951-A1 3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 WO claimed
EP-3475275-B1 3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-04-10 EP disclosed
US-11066396-B2 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (HDAC6) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-07-20 US disclosed
US-11066396-B2 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (HDAC6) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-07-20 US disclosed
US-20190185462-A1 3-ARYL- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONEDEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-20 US disclosed
US-20190185462-A1 3-ARYL- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONEDEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-20 US disclosed
EP-3475275-A1 3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-05-01 EP disclosed
WO-2017222951-A1 3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 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 (2 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-11066396-B2 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (HDAC6) inhibitors HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC8 11/4885
US-20190185462-A1 3-ARYL- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONEDEACETYLASE 6 (HDAC6) INHIBITORS HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC8 11/4885

“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.