SCHEMBL25161008

SCHEMBL25161008

CN(C)c1ccnc(C(=O)Nc2cc(-c3ccc(F)nc3)ccc2N)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.51
▸ KCNH2 Q12809 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C18 P33260 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HDAC2 Q92769 10/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HDAC3 O15379 8/20 0.42

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
SCHEMBL25161745 0.87 HDAC1 (0.53) HDAC1KCNH2CYP1A2CYP2C18CYP2C19
SCHEMBL25161315 0.87 HDAC1 (0.51) HDAC1KCNH2CYP1A2CYP2C18CYP2C19
SCHEMBL25161809 0.86 HDAC2 (0.46) HDAC1KCNH2CYP1A2CYP2C18CYP2C19
SCHEMBL25161760 0.85 HDAC1 (0.47) HDAC1KCNH2CYP1A2CYP2C18CYP2C19
SCHEMBL25161001 0.83 HDAC2 (0.49) HDAC1KCNH2CYP1A2CYP2C18CYP2C19
SCHEMBL25161806 0.83 HDAC2 (0.48) HDAC1KCNH2CYP1A2CYP2C18CYP2C19
SCHEMBL25161231 0.82 HDAC2 (0.58) HDAC1KCNH2CYP1A2CYP2C18CYP2C19
SCHEMBL25161266 0.81 HDAC1 (0.58) HDAC1KCNH2CYP1A2CYP2C18CYP2C19
SCHEMBL23517908 0.81 HDAC2 (0.44) HDAC1KCNH2CYP1A2CYP2C18CYP2C19
SCHEMBL25161000 0.79 HDAC1 (0.50) HDAC1KCNH2CYP1A2CYP2C18CYP2C19

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-20230119479-A1 A HISTONE DEACETYLASE INHIBITOR HAVING A NITROGEN-CONTAINING AROMATIC HETEROCYCLYL GROUP SHIONOGI & CO., LTD. (JP) 2023-04-20 — — 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-20230119479-A1 A HISTONE DEACETYLASE INHIBITOR HAVING A NITROGEN-CONTAINING AROMATIC HETEROCYCLYL GROUP HDAC2, HDAC1, HDAC11 HDAC1 2/4885KCNH2 1618/4885CYP1A2 3192/4885

“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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