SCHEMBL21175866

SCHEMBL21175866

Cc1cc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)on1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 11/20 0.57
NR1I2 O75469 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
HDAC6 Q9UBN7 18/20 0.53
HDAC1 Q13547 12/20 0.52
HDAC8 Q9BY41 8/20 0.52
HDAC3 O15379 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL21175930 0.85 HDAC4 (0.55) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL29058346 0.80 HDAC4 (0.65) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL21175713 0.80 HDAC6 (0.57) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29058587 0.80 HDAC6 (0.50) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL19384956 0.80 HDAC4 (0.55) HDAC4NR1I2CYP3A4CYP2D6HDAC6
SCHEMBL20653856 0.79 HDAC4 (0.54) HDAC4HDAC6HDAC1HDAC8
SCHEMBL6067590 0.79 NR1I2 (0.73) HDAC4NR1I2CYP3A4CYP2D6HDAC6
SCHEMBL21175725 0.79 HDAC6 (0.61) HDAC4HDAC6HDAC1HDAC8
SCHEMBL20645579 0.78 HDAC4 (0.61) HDAC4HDAC6HDAC1HDAC8
SCHEMBL21175717 0.78 HDAC6 (0.71) HDAC4HDAC6HDAC1HDAC8

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 1433/4885NR1I2 668/4885CYP3A4 126/4885
US-11026427-B2 Microbiocidal oxadiazole derivatives PRF1, NOX3, NOX1 HDAC4 1433/4885NR1I2 668/4885CYP3A4 126/4885

“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.