SCHEMBL20550320

SCHEMBL20550320

Fc1cc(-c2noc(C(F)(F)F)n2)ccc1CSc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.65
HDAC1 Q13547 13/20 0.65
HDAC5 Q9UQL6 5/20 0.65
HDAC4 P56524 5/20 0.50
HDAC8 Q9BY41 8/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL20550218 0.86 HDAC6 (0.53) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL20550193 0.82 HDAC6 (0.55) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL18795728 0.80 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL22530719 0.79 HDAC4 (0.57) HDAC6HDAC1HDAC5HDAC4
SCHEMBL29392131 0.79 HDAC4 (0.57) HDAC6HDAC1HDAC5HDAC4
SCHEMBL20550150 0.79 HDAC6 (0.57) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL19745335 0.79 HDAC6 (1.00) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL20528665 0.79 HDAC6 (0.65) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL20550314 0.78 HDAC6 (0.64) HDAC6HDAC1HDAC5HDAC4HDAC8
Hydrochloric Acid SCHEMBL20528676 0.78 HDAC6 (0.63) HDAC6HDAC1HDAC5HDAC4HDAC8

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-20180319753-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-11-08 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-20180319753-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 HDAC6 610/4885HDAC1 551/4885HDAC5 1156/4885

“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.