SCHEMBL24472893

SCHEMBL24472893

CC(c1ccc(F)cc1)N(Cc1ccc(/C=C/C(=O)NO)cc1)Sc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 5/20 0.49
▸ HDAC6 Q9UBN7 5/20 0.49
▸ HDAC8 Q9BY41 5/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NOS3 P29474 3/20 0.42
▸ NOS1 P29475 3/20 0.42
▸ NOS2 P35228 3/20 0.42
▸ TP53 P04637 1/20 0.40
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL24473208 0.82 HDAC3 (0.54) HDAC3HDAC6HDAC8SMN1; SMN2KDM1A
SCHEMBL22482997 0.79 HDAC6 (0.53) HDAC3HDAC6HDAC8ALDH1A1SMN1; SMN2
SCHEMBL24472883 0.74 HDAC8 (0.59) HDAC3HDAC6HDAC8SMN1; SMN2HDAC1
SCHEMBL24472782 0.72 HDAC1 (0.37) HDAC3HDAC6HDAC8MEN1KMT2A
SCHEMBL24472745 0.72 HDAC3 (0.59) HDAC3HDAC6HDAC8ALDH1A1KDM1A
SCHEMBL22482696 0.70 HDAC6 (0.67) HDAC3HDAC6HDAC8KDM1AHDAC1
SCHEMBL14244403 0.70 HSD11B1 (0.67) HDAC3HDAC6HDAC8MEN1KMT2A
SCHEMBL12426309 0.70 HSD11B1 (0.67) HDAC3HDAC6HDAC8MEN1KMT2A
SCHEMBL24472755 0.69 HDAC3 (0.57) HDAC3HDAC6HDAC8HDAC1HDAC2
SCHEMBL12150981 0.68 HDAC6 (1.00) HDAC3HDAC6HDAC8HDAC1HDAC2

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-20220169598-A1 HALOGENATED PHENYLSULFONAMIDE HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS AND USES THEREOF AS SELECTIVE HDAC6 INHIBITORS 2681603 ONTARIO INC. (CA) 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-20220169598-A1 HALOGENATED PHENYLSULFONAMIDE HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS AND USES THEREOF AS SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC11 HDAC3 4/4885HDAC6 1/4885HDAC8 11/4885

“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.

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