SCHEMBL23960951

SCHEMBL23960951

CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(O)cc4)ccc3NC(=O)OC(C)(C)C)nc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.59
HDAC2 Q92769 4/20 0.59
KCNH2 Q12809 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C18 P33260 1/20 0.58
CYP2C19 P33261 1/20 0.58
F10 P00742 3/20 0.44
WDR5 P61964 6/20 0.42
FYN P06241 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
WNT3A P56704 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
SCHEMBL20163045 0.93 HDAC3 (0.69) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181681 0.92 KCNH2 (0.70) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181728 0.88 HDAC3 (0.71) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181696 0.87 HDAC3 (0.72) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL23960952 0.87 HDAC3 (0.53) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181720 0.85 HDAC3 (0.72) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL23960936 0.84 MEN1 (0.54) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181718 0.84 HDAC3 (0.57) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20163065 0.83 HDAC2 (0.54) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181660 0.83 KCNH2 (0.58) HDAC3HDAC2KCNH2CYP1A2CYP2C18

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 2/4885KCNH2 3888/4885

“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.