SCHEMBL21033488

SCHEMBL21033488

CCOC(=O)c1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 18/20 0.53
HDAC6 Q9UBN7 10/20 0.53
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HDAC8 Q9BY41 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
HDAC2 Q92769 1/20 0.45

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
SCHEMBL29381550 0.88 KDM4E (0.57) HDAC4HDAC6KDM4EPOLBHDAC8
Bromide SCHEMBL22530932 0.87 KDM4E (0.56) HDAC4HDAC6KDM4EPOLBHDAC8
SCHEMBL21001692 0.86 KDM4E (0.54) KDM4EPOLB
SCHEMBL29381830 0.84 HDAC4 (0.57) HDAC4HDAC6HDAC8HDAC1HDAC5
SCHEMBL21033311 0.84 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2
SCHEMBL29382012 0.83 HDAC6 (0.50) HDAC4HDAC6HDAC8HDAC1HDAC2
SCHEMBL21033486 0.83 KDM4E (0.50) KDM4EPOLB
SCHEMBL21033484 0.83 KDM4E (0.50) KDM4EPOLB
SCHEMBL29381493 0.82 HDAC4 (0.65) HDAC4HDAC6HDAC1
SCHEMBL29381942 0.82 HDAC4 (0.65) HDAC4HDAC6HDAC8HDAC1HDAC5

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
EP-3953353-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-02-16 EP claimed
US-20220151236-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-05-19 US disclosed
EP-3953353-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-02-16 EP disclosed
US-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC 2021-12-02 US disclosed
WO-2020208510-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LIMITED (IN) 2020-10-15 WO disclosed
WO-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 WO 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-20220151236-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI OXA1L, ERG28, CYP51A1 HDAC4 2778/4885HDAC6 1290/4885KDM4E 1507/4885
US-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 HDAC4 402/4885HDAC6 319/4885KDM4E 221/4885

“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.