SCHEMBL29625964

SCHEMBL29625964

NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.64
HDAC6 Q9UBN7 14/20 0.64
HDAC1 Q13547 5/20 0.59
HDAC8 Q9BY41 1/20 0.56

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
SCHEMBL14645825 0.88 HDAC4 (0.65) HDAC4HDAC6HDAC1
SCHEMBL18985131 0.87 HDAC4 (0.64) HDAC4HDAC6HDAC1
SCHEMBL30931870 0.87 HDAC4 (0.70) HDAC4HDAC6HDAC1
SCHEMBL22531083 0.87 HDAC4 (0.70) HDAC4HDAC6HDAC1
SCHEMBL20680769 0.86 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC8
SCHEMBL32679148 0.85 NPC1 (0.56) HDAC4HDAC6HDAC1HDAC8
SCHEMBL32679146 0.85 NPC1 (0.56) HDAC4HDAC6HDAC1HDAC8
SCHEMBL21806679 0.84 HDAC6 (0.58) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29241997 0.84 HDAC4 (0.60) HDAC4HDAC6HDAC1
SCHEMBL29598891 0.83 HDAC6 (0.51) 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 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 HDAC4 2246/4885HDAC6 1374/4885HDAC1 725/4885

“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.