SCHEMBL19745673

SCHEMBL19745673

N#Cc1ccc(N(Cc2ccccc2)C(=O)O)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
AR P10275 16/20 0.48
PGR P06401 2/20 0.48
TAS2R14 Q9NYV8 1/20 0.46
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL19745814 0.86 AR (0.45) RXRARXRBRXRGARPGR
SCHEMBL3416059 0.83 UBE2M (0.45) RXRARXRBRXRGARPGR
SCHEMBL3410635 0.82 UBE2M (0.44) RXRARXRBRXRGARPGR
SCHEMBL4154134 0.81 AR (0.53) RXRARXRBRXRGARPGR
SCHEMBL1942322 0.80 TAS2R14 (0.49) RXRARXRBRXRGARPGR
SCHEMBL4595785 0.79 AR (0.74) RXRARXRBRXRGARPGR
SCHEMBL4595784 0.79 AR (0.74) RXRARXRBRXRGARPGR
SCHEMBL4594109 0.77 AR (0.59) RXRARXRBRXRGARPGR
SCHEMBL3417367 0.76 AR (0.42) RXRARXRBRXRGARPGR
SCHEMBL3418884 0.75 LMNA (0.45) RXRARXRBRXRGARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 RXRA 3602/4885RXRB 3380/4885RXRG 3587/4885
US-20190185462-A1 3-ARYL- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONEDEACETYLASE 6 (HDAC6) INHIBITORS HDAC6, HDAC1, HDAC5 RXRA 3602/4885RXRB 3380/4885RXRG 3587/4885

“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.