SCHEMBL20593602

SCHEMBL20593602

O=C(NCc1ccccc1)C(=O)NCc1ccc(-c2noc(C(F)(F)F)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.80
HDAC4 P56524 10/20 0.80
HDAC1 Q13547 11/20 0.66
HDAC8 Q9BY41 9/20 0.65
HDAC5 Q9UQL6 2/20 0.65
HDAC3 O15379 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60

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
SCHEMBL20593625 0.92 HDAC6 (0.72) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL19030821 0.91 HDAC6 (0.71) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14935019 0.90 HDAC6 (0.76) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL20593509 0.90 HDAC6 (0.76) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL20593559 0.89 HDAC4 (0.70) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14645445 0.89 HDAC4 (1.00) HDAC6HDAC4HDAC1HDAC8
SCHEMBL20593420 0.89 HDAC4 (0.91) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL20593703 0.89 HDAC6 (0.70) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14918495 0.89 HDAC6 (0.74) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL20593596 0.88 HDAC6 (0.66) HDAC6HDAC4HDAC1HDAC8HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370927-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-12-27 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 (1 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-20180370927-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, MPO, NOX3 HDAC6 648/4885HDAC4 1464/4885HDAC1 573/4885

“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.