SCHEMBL21407375

SCHEMBL21407375

FC(F)(F)c1nc(-c2ccc(Cn3cc(COc4ccccc4)nn3)cc2)no1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.60
HDAC1 Q13547 7/20 0.54
HDAC6 Q9UBN7 7/20 0.54
HDAC5 Q9UQL6 3/20 0.54
HDAC8 Q9BY41 5/20 0.52
HSP90AB1 P08238 1/20 0.50
S1PR1 P21453 2/20 0.49

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
SCHEMBL20654699 0.84 HSP90AB1 (0.49) HDAC1HDAC6HDAC5HDAC8HSP90AB1
SCHEMBL21543796 0.82 HDAC6 (0.73) HDAC1HDAC6HDAC5HDAC8
SCHEMBL20640472 0.82 HDAC4 (0.50) HDAC1HDAC6HDAC5HDAC8S1PR1
SCHEMBL21407190 0.81 SPHK2 (0.58) CYP19A1HDAC1HDAC6HDAC8
SCHEMBL21407333 0.80 HDAC6 (0.55) HDAC1HDAC6HDAC5HDAC8S1PR1
SCHEMBL21407161 0.80 HDAC6 (0.48) HDAC1HDAC6HDAC8S1PR1
SCHEMBL22958917 0.78 HDAC6 (0.53) HDAC1HDAC6HDAC8
SCHEMBL21407448 0.77 HDAC6 (0.50) HDAC1HDAC6HDAC8
SCHEMBL84637 0.77 CYP19A1 (1.00) CYP19A1HSP90AB1
SCHEMBL20651113 0.76 HDAC4 (0.53) HDAC1HDAC6HDAC5HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11259524-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2022-03-01 US disclosed
US-20210037826-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-02-11 US disclosed
US-10798941-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-10-13 US disclosed
US-10798941-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-10-13 US disclosed
US-20190297892-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 US disclosed
US-20190297892-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 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 (4 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-20210037826-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 CYP19A1 422/4885HDAC1 551/4885HDAC6 610/4885
US-10798941-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 CYP19A1 467/4885HDAC1 580/4885HDAC6 592/4885
US-20190297892-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 CYP19A1 467/4885HDAC1 580/4885HDAC6 592/4885
US-11259524-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 CYP19A1 422/4885HDAC1 551/4885HDAC6 610/4885

“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.