SCHEMBL24472745

SCHEMBL24472745

O=C(/C=C/c1ccc(CN(Sc2c(F)c(F)c(F)c(F)c2F)C2CCCC2)cc1)NO

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 13/20 0.59
▸ HDAC6 Q9UBN7 12/20 0.59
▸ HDAC8 Q9BY41 12/20 0.59
▸ HDAC1 Q13547 11/20 0.48
▸ HDAC5 Q9UQL6 7/20 0.48
▸ HDAC4 P56524 5/20 0.48
▸ HDAC2 Q92769 9/20 0.46
▸ HDAC10 Q969S8 5/20 0.46
▸ HDAC11 Q96DB2 4/20 0.46
▸ HDAC7 Q8WUI4 3/20 0.46
▸ HDAC9 Q9UKV0 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KDM1A O60341 1/20 0.41
▸ ADAM17 P78536 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL24472787 0.88 HDAC6 (0.58) HDAC3HDAC6HDAC8HDAC1HDAC5
SCHEMBL24473211 0.87 HDAC6 (0.54) HDAC3HDAC6HDAC8HDAC1HDAC5
SCHEMBL24472776 0.82 HDAC6 (0.59) HDAC3HDAC6HDAC8HDAC1HDAC5
SCHEMBL24473208 0.78 HDAC3 (0.54) HDAC3HDAC6HDAC8HDAC1HDAC5
SCHEMBL22483035 0.77 HDAC6 (0.63) HDAC3HDAC6HDAC8HDAC1HDAC5
SCHEMBL20847669 0.77 AGER (0.40) HDAC6ALDH1A1LMNAKMT2A
SCHEMBL24473070 0.77 HDAC6 (0.61) HDAC3HDAC6HDAC8HDAC11
SCHEMBL20847506 0.76 EPHX1 (0.43) HDAC3HDAC6HDAC8HDAC11ALDH1A1
SCHEMBL20847575 0.76 AGER (0.42) ALDH1A1LMNAKMT2A
SCHEMBL20847602 0.76 AGER (0.38) HDAC3HDAC6HDAC8ALDH1A1LMNA

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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