SCHEMBL24233545

SCHEMBL24233545

CN1CCN(c2ccc3cc(C(=O)Nc4cc(-c5cccs5)ccc4NC(=O)OC(C)(C)C)cnc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.53
HDAC2 Q92769 10/20 0.52
KCNH2 Q12809 2/20 0.46
HDAC1 Q13547 11/20 0.46
NCOR2 Q9Y618 1/20 0.44
WDR5 P61964 1/20 0.43
HCK P08631 1/20 0.43
NR2C2 P49116 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL29368215 1.00 HDAC3 (0.53) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL20181817 0.93 GBA1 (0.47) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL21538675 0.93 HDAC3 (0.56) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL21835794 0.90 HDAC3 (0.56) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL24233469 0.86 HDAC3 (0.71) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL29370819 0.86 WDR5 (0.45) HDAC3HDAC2KCNH2HDAC1WDR5
SCHEMBL24233451 0.86 WDR5 (0.45) HDAC3HDAC2KCNH2HDAC1WDR5
SCHEMBL20181696 0.85 HDAC3 (0.72) HDAC3HDAC2KCNH2HDAC1HCK
SCHEMBL8232846 0.84 HDAC3 (0.73) HDAC3HDAC2KCNH2HDAC1
SCHEMBL23960955 0.84 HDAC3 (0.59) HDAC3HDAC2KCNH2HDAC1HCK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858919-B2 HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-11858919-B2 HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-20220033388-A1 HDAC1,2 Inhibitors REGENACY PHARMACEUTICALS, LLC 2022-02-03 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 (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-11858919-B2 HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885KCNH2 4383/4885
US-20220033388-A1 HDAC1,2 Inhibitors HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885KCNH2 4383/4885

“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.