SCHEMBL19746955

SCHEMBL19746955

COc1cccc(Cn2ccc(-c3noc(C(F)(F)F)n3)cc2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.53
HDAC1 Q13547 9/20 0.53
HDAC8 Q9BY41 6/20 0.53
ADORA2A P29274 1/20 0.47
HDAC5 Q9UQL6 2/20 0.46
SDHB P21912 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
LPO P22079 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
CMA1 P23946 1/20 0.41

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
SCHEMBL19747008 0.89 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC5SDHB
SCHEMBL19746691 0.86 HDAC6 (0.56) HDAC6HDAC1HDAC8ADORA2A
SCHEMBL19746625 0.85 HDAC6 (0.60) HDAC6HDAC1HDAC8ADORA2AHDAC5
SCHEMBL19747484 0.84 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC5
SCHEMBL19747037 0.83 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC5
SCHEMBL19746010 0.82 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC5
SCHEMBL19746690 0.82 HDAC6 (0.44) HDAC6HDAC1HDAC8
SCHEMBL19746424 0.81 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC5
SCHEMBL19746136 0.81 HDAC6 (0.57) HDAC6HDAC1HDAC8ADORA2AHDAC5
SCHEMBL19746278 0.79 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC5

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
WO-2017222952-A1 3- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 WO claimed
US-11708358-B2 Fungicidal oxadiazoles FMC CORPORATION (US) 2023-07-25 US disclosed
US-11708358-B2 Fungicidal oxadiazoles FMC CORPORATION (US) 2023-07-25 US disclosed
WO-2022133114-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC CORPORATION (US) 2022-06-23 WO disclosed
US-20200148672-A1 FUNGICIDAL OXADIAZOLES FMC CORPORATION 2020-05-14 US 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-20200148672-A1 FUNGICIDAL OXADIAZOLES OXA1L, NOX1, TH HDAC6 1038/4885HDAC1 1586/4885HDAC8 2957/4885
US-11708358-B2 Fungicidal oxadiazoles OXA1L, NOX1, TH HDAC6 1038/4885HDAC1 1586/4885HDAC8 2957/4885

“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.