SCHEMBL21976791

SCHEMBL21976791

C[C@@H](OC(N)=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 20/20 0.61
HDAC6 Q9UBN7 9/20 0.55
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL28573268 0.86 HDAC4 (0.56) HDAC4HDAC6HDAC2HDAC8
SCHEMBL21567058 0.86 HDAC4 (0.62) HDAC4HDAC6HDAC8
SCHEMBL18824404 0.84 HDAC4 (0.62) HDAC4HDAC6HDAC8
SCHEMBL20528771 0.79 HDAC4 (0.58) HDAC4HDAC6HDAC8
SCHEMBL19100146 0.79 HDAC4 (0.61) HDAC4HDAC6
SCHEMBL19071237 0.79 HDAC6 (0.72) HDAC4HDAC6HDAC8
SCHEMBL18609313 0.79 HDAC4 (0.60) HDAC4HDAC6HDAC8
SCHEMBL28702951 0.78 HDAC4 (0.58) HDAC4HDAC6HDAC2HDAC8
Bromide SCHEMBL25367533 0.78 HDAC4 (0.56) HDAC4HDAC6HDAC8
SCHEMBL14918861 0.77 HDAC4 (0.58) HDAC4HDAC6HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11540518-B2 Fungicidal oxadiazoles FMC CORPORATION (US) 2023-01-03 US disclosed
US-20200138029-A1 FUNGICIDAL OXADIAZOLES FMC CORPORATION 2020-05-07 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-20200138029-A1 FUNGICIDAL OXADIAZOLES NOX1, OXA1L, NOXO1 HDAC4 2196/4885HDAC6 393/4885HDAC2 809/4885
US-11540518-B2 Fungicidal oxadiazoles NOX1, OXA1L, NOXO1 HDAC4 2196/4885HDAC6 393/4885HDAC2 809/4885

“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.