SCHEMBL22609172

SCHEMBL22609172

CSc1cc(-c2noc(C(F)(F)F)n2)ccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 17/20 0.47
HDAC6 Q9UBN7 11/20 0.47
HDAC1 Q13547 3/20 0.43
HDAC5 Q9UQL6 2/20 0.43
HDAC8 Q9BY41 3/20 0.42

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
SCHEMBL22626859 0.93 HDAC4 (0.39) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL30777475 0.82 HDAC6 (0.52) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL19014974 0.82 HDAC6 (0.52) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL24254418 0.82 HDAC4 (0.48) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL29395911 0.82 HDAC4 (0.48) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL19047561 0.79 HDAC4 (0.51) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL19047568 0.74 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC8
SCHEMBL19030812 0.74 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29396135 0.73 HDAC4 (0.41) HDAC4HDAC6HDAC1HDAC8
SCHEMBL18824381 0.72 HDAC4 (0.66) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566097-B Oxadiazole compounds or salts thereof, agrohorticultural fungicides containing the same, and methods of use thereof 日本农药株式会社 2024-01-26 CN disclosed
EP-3733653-B1 OXADIAZOLE COMPOUND OR SALTS THEREOF, AGRICULTURAL/HORTICULTURAL FUNGICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO LTD (JP) 2023-03-01 EP disclosed
US-11191272-B2 Oxadiazole compound or salts thereof, agricultural/horticultural fungicide containing said compound, and method for using same NIHON NOHYAKU CO., LTD. (JP) 2021-12-07 US disclosed
US-11191272-B2 Oxadiazole compound or salts thereof, agricultural/horticultural fungicide containing said compound, and method for using same NIHON NOHYAKU CO., LTD. (JP) 2021-12-07 US disclosed
US-20210037823-A1 OXADIAZOLE COMPOUND OR SALTS THEREOF, AGRICULTURAL/HORTICULTURAL FUNGICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO., LTD. (JP) 2021-02-11 US disclosed
US-20210037823-A1 OXADIAZOLE COMPOUND OR SALTS THEREOF, AGRICULTURAL/HORTICULTURAL FUNGICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO., LTD. (JP) 2021-02-11 US disclosed
EP-3733653-A1 OXADIAZOLE COMPOUND OR SALTS THEREOF, AGRICULTURAL/HORTICULTURAL FUNGICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME Nihon Nohyaku Co., Ltd. (JP) 2020-11-04 EP disclosed
CN-111566097-A Oxadiazole compound or salt thereof, agricultural/horticultural bactericide containing the same, and method for using the same 日本农药株式会社 2020-08-21 CN 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-11191272-B2 Oxadiazole compound or salts thereof, agricultural/horticultural fungicide containing said compound, and method for using same OXER1, OXA1L, OXSR1 HDAC4 622/4885HDAC6 956/4885HDAC1 129/4885
US-20210037823-A1 OXADIAZOLE COMPOUND OR SALTS THEREOF, AGRICULTURAL/HORTICULTURAL FUNGICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME OXER1, OXA1L, OXSR1 HDAC4 622/4885HDAC6 956/4885HDAC1 129/4885

“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.