SCHEMBL23928827

SCHEMBL23928827

CC(C)(C)OC(=O)NN(C(=O)c1cnc(N2CCN(C(=O)O)CC2)cn1)c1cccc(-c2cccs2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.46
HDAC1 Q13547 5/20 0.43
HDAC2 Q92769 4/20 0.43
GBA1 P04062 1/20 0.39
CKS1B P61024 4/20 0.39
SKP1 P63208 4/20 0.39
SKP2 Q13309 4/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
KCNH2 Q12809 4/20 0.35
TGFBR1 P36897 1/20 0.34

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
SCHEMBL20163084 0.94 HDAC3 (0.46) HDAC3HDAC1HDAC2GBA1CKS1B
SCHEMBL20163021 0.83 CKS1B (0.45) HDAC3HDAC1HDAC2GBA1CKS1B
SCHEMBL20163099 0.79 CKS1B (0.43) HDAC3HDAC2CKS1BSKP1SKP2
SCHEMBL20163111 0.79 ABCB1 (0.43) HDAC3HDAC2CKS1BSKP1SKP2
SCHEMBL20163149 0.79 GBA1 (0.46) HDAC3HDAC1HDAC2GBA1CKS1B
SCHEMBL20163136 0.79 GPR119 (0.45) HDAC3HDAC1HDAC2GBA1CKS1B
SCHEMBL20163104 0.79 GPR119 (0.44) HDAC3HDAC1HDAC2GBA1CKS1B
SCHEMBL20163038 0.76 GPR119 (0.46) HDAC3HDAC1HDAC2GBA1CKS1B
SCHEMBL20163026 0.75 GBA1 (0.45) HDAC3HDAC1HDAC2GBA1CKS1B
SCHEMBL20163063 0.74 HDAC3 (0.59) HDAC3HDAC1HDAC2GABRA1GABRG2

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-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2021-10-28 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-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC1 1/4885HDAC2 2/4885

“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.