SCHEMBL29625972

SCHEMBL29625972

COc1cc(C(N)=O)ccc1-c1noc(C(F)(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.53
HDAC1 Q13547 9/20 0.53
HDAC5 Q9UQL6 4/20 0.53
HDAC4 P56524 9/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
HDAC8 Q9BY41 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29242083 0.84 HDAC4 (0.47) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL29712264 0.83 HDAC1 (0.65) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL19384961 0.83 HDAC1 (0.65) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL28506637 0.82 HDAC1 (0.48) HDAC6HDAC1HDAC5HDAC8
SCHEMBL21903401 0.78 HDAC6 (0.52) HDAC6HDAC1HDAC4HDAC8
SCHEMBL10555561 0.78 S1PR1 (0.41) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL21223573 0.78 HDAC4 (0.42) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL19071237 0.77 HDAC6 (0.72) HDAC6HDAC1HDAC4HDAC8
SCHEMBL21223168 0.76 HDAC6 (0.43) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL21223404 0.76 HDAC6 (0.41) 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-20220169621-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-06-02 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-20220169621-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI OXA1L, CYP51A1, CYP1A1 HDAC6 1374/4885HDAC1 725/4885HDAC5 1721/4885

“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.