SCHEMBL21543796

SCHEMBL21543796

FC(F)(F)c1nc(-c2ccc(COc3ccccc3)cc2)no1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.73
HDAC1 Q13547 11/20 0.73
HDAC8 Q9BY41 8/20 0.73
HDAC5 Q9UQL6 5/20 0.69
SMPD1 P17405 1/20 0.57
MAPK1 P28482 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HDAC4 P56524 5/20 0.54
TSHR P16473 1/20 0.52

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
SCHEMBL21543856 0.88 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC5SMPD1
SCHEMBL19745308 0.84 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL21543784 0.84 HDAC6 (0.76) HDAC6HDAC1HDAC8HDAC5
SCHEMBL19476242 0.84 HDAC6 (0.73) HDAC6HDAC1HDAC8HDAC5
SCHEMBL21543881 0.82 HDAC6 (0.70) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL21175671 0.82 HDAC6 (0.63) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL21407375 0.82 CYP19A1 (0.60) HDAC6HDAC1HDAC8HDAC5
SCHEMBL19744926 0.82 HDAC1 (1.00) HDAC6HDAC1HDAC8HDAC5
SCHEMBL19745335 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC5MAPK1
SCHEMBL3504606 0.82 MAPK1 (0.52) HDAC6HDAC1HDAC8HDAC5SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110650956-B Fungicidal oxadiazoles FMC公司 2024-03-08 CN claimed
US-11708358-B2 Fungicidal oxadiazoles FMC CORPORATION (US) 2023-07-25 US claimed
US-20190345150-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-11-14 US disclosed
US-20190345150-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-11-14 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-20190345150-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 HDAC6 610/4885HDAC1 551/4885HDAC8 1766/4885
US-11708358-B2 Fungicidal oxadiazoles OXA1L, NOX1, TH HDAC6 1038/4885HDAC1 1586/4885HDAC8 2957/4885

“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.