SCHEMBL21175646

SCHEMBL21175646

Cc1ncc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 9/20 0.55
HDAC6 Q9UBN7 18/20 0.52
HDAC1 Q13547 13/20 0.52
HDAC8 Q9BY41 10/20 0.52
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL20640869 0.81 HDAC4 (0.55) HDAC4HDAC6HDAC1HDAC8
SCHEMBL20645599 0.78 HDAC4 (0.55) HDAC4HDAC6HDAC1HDAC8
SCHEMBL21175703 0.78 HDAC6 (0.56) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL21175650 0.78 HDAC6 (0.55) HDAC4HDAC6HDAC1HDAC8
SCHEMBL20653805 0.78 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC8
SCHEMBL20645579 0.76 HDAC4 (0.61) HDAC4HDAC6HDAC1HDAC8
SCHEMBL21175671 0.76 HDAC6 (0.63) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL21175717 0.76 HDAC6 (0.71) HDAC4HDAC6HDAC1HDAC8
SCHEMBL20471101 0.76 HDAC4 (0.64) HDAC4HDAC6HDAC1HDAC8
SCHEMBL13844981 0.76 POLB (0.41)

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-11026427-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-06-08 US disclosed
US-20190223441-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-20190223441-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX3, NOX1 HDAC4 1433/4885HDAC6 612/4885HDAC1 526/4885
US-11026427-B2 Microbiocidal oxadiazole derivatives PRF1, NOX3, NOX1 HDAC4 1433/4885HDAC6 612/4885HDAC1 526/4885

“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.