SCHEMBL23960982

SCHEMBL23960982

CC(C)(C)OC(=O)Nc1ccc(-c2ccoc2)cc1NC(=O)c1ncc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.48
HDAC2 Q92769 4/20 0.48
WNT3A P56704 2/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 2/20 0.42
BACE1 P56817 1/20 0.41
KCNH2 Q12809 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ALK Q9UM73 4/20 0.38
MAPK8 P45983 1/20 0.37

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
SCHEMBL20163050 0.91 HDAC3 (0.60) HDAC3HDAC2WNT3AMEN1MAPT
SCHEMBL23961022 0.88 BACE1 (0.51) HDAC3HDAC2WNT3AMEN1MAPT
SCHEMBL20163098 0.85 HDAC3 (0.57) HDAC3HDAC2WNT3AMEN1MAPT
SCHEMBL20181708 0.85 HDAC2 (0.60) HDAC3HDAC2WNT3AGPR119KCNH2
SCHEMBL20163074 0.85 HDAC3 (0.56) HDAC3HDAC2WNT3AMEN1MAPT
SCHEMBL20163020 0.85 HDAC2 (0.57) HDAC3HDAC2WNT3AGPR119BACE1
SCHEMBL20181657 0.85 KCNH2 (0.59) HDAC3HDAC2WNT3AMEN1MAPT
SCHEMBL23960959 0.84 HDAC3 (0.50) HDAC3HDAC2WNT3AMEN1MAPT
SCHEMBL20181728 0.83 HDAC3 (0.71) HDAC3HDAC2WNT3AMEN1MAPT
SCHEMBL20181824 0.82 HDAC2 (0.56) HDAC3HDAC2WNT3AGPR119BACE1

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 7/4885HDAC2 2/4885WNT3A 2344/4885

“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.