SCHEMBL21175489

SCHEMBL21175489

O=C(C(=O)N1CCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 20/20 0.77
HDAC6 Q9UBN7 8/20 0.77
HDAC2 Q92769 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC1 Q13547 2/20 0.59
HDAC3 O15379 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
NCOR2 Q9Y618 1/20 0.59

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
SCHEMBL21175496 0.90 HDAC4 (0.78) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL14645484 0.87 HDAC4 (1.00) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL21175479 0.86 HDAC4 (0.61) HDAC4HDAC6HDAC2HDAC8
SCHEMBL14645479 0.86 HDAC4 (1.00) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL20593698 0.80 HDAC4 (0.64) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL20049299 0.80 HDAC4 (0.66) HDAC4HDAC6HDAC8
SCHEMBL19042594 0.80 HDAC4 (0.71) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL21175499 0.79 HDAC4 (0.64) HDAC4HDAC6HDAC8HDAC1
SCHEMBL27957379 0.78 HDAC4 (0.71) HDAC4HDAC6HDAC8
SCHEMBL14645486 0.78 HDAC4 (1.00) HDAC4HDAC6HDAC2HDAC8HDAC1

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-3522715-B1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-01-20 EP disclosed
US-10653146-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-05-19 US disclosed
US-10653146-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-05-19 US disclosed
US-20190223442-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-07-25 US disclosed
US-20190223442-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-07-25 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-20190223442-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES NOX3, NOX1, MPO HDAC4 1299/4885HDAC6 676/4885HDAC2 1006/4885
US-10653146-B2 Microbiocidal oxadiazole derivatives NOX3, NOX1, MPO HDAC4 1299/4885HDAC6 676/4885HDAC2 1006/4885

“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.