SCHEMBL23517994

SCHEMBL23517994

CC(C)c1ccc(C(=O)Nc2cc(-c3ccc(F)nc3)ccc2N)nc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 15/20 0.48
▸ HDAC2 Q92769 14/20 0.48
▸ KCNH2 Q12809 2/20 0.48
▸ HDAC1 Q13547 9/20 0.47
▸ NCOR2 Q9Y618 6/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C18 P33260 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ DYRK1A Q13627 1/20 0.41
▸ NCOR1 O75376 1/20 0.41

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
SCHEMBL25161004 0.90 HDAC2 (0.48) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL25161812 0.87 HDAC3 (0.48) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL25161006 0.85 HDAC2 (0.50) HDAC3HDAC2KCNH2HDAC1CYP1A2
SCHEMBL18670970 0.85 HDAC2 (0.61) HDAC3HDAC2KCNH2HDAC1CYP1A2
SCHEMBL25161246 0.85 HDAC2 (0.57) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL23517988 0.84 HDAC2 (0.46) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL25161114 0.84 HDAC2 (0.51) HDAC3HDAC2KCNH2HDAC1CYP1A2
SCHEMBL23517747 0.83 SMN1; SMN2 (0.54) HDAC3HDAC2KCNH2HDAC1CYP1A2
SCHEMBL25160998 0.83 HDAC3 (0.48) HDAC3HDAC2KCNH2HDAC1CYP1A2
SCHEMBL25160989 0.83 HDAC2 (0.48) HDAC3HDAC2KCNH2HDAC1NCOR2

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 2 patents. 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
WO-2021117759-A1 HISTONE DEACETYLASE INHIBITOR HAVING NITROGEN-CONTAINING AROMATIC HETEROCYCLIC GROUP 塩野義製薬株式会社 2021-06-17 — — WO 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 HDAC3 5/4885HDAC2 1/4885KCNH2 1618/4885

“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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