SCHEMBL23517830

SCHEMBL23517830

Nc1ccc(-c2ccc(F)nc2)cc1NC(=O)c1cccnn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 0.51
▸ HDAC2 Q92769 11/20 0.47
▸ HDAC3 O15379 9/20 0.47
▸ KCNH2 Q12809 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 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
SCHEMBL25161231 0.87 HDAC2 (0.58) HDAC1HDAC2HDAC3KCNH2HDAC4
SCHEMBL25161874 0.83 HDAC2 (0.47) HDAC1HDAC2HDAC3KCNH2
SCHEMBL25161315 0.83 HDAC1 (0.51) HDAC1HDAC2HDAC3KCNH2
SCHEMBL23517831 0.82 HDAC1 (0.53) HDAC1HDAC2HDAC3
SCHEMBL25161862 0.82 HDAC2 (0.46) HDAC1HDAC2HDAC3KCNH2
SCHEMBL25161000 0.82 HDAC1 (0.50) HDAC1HDAC2HDAC3KCNH2P2RX7
SCHEMBL25161266 0.82 HDAC1 (0.58) HDAC1HDAC2HDAC3KCNH2HDAC8
SCHEMBL25161246 0.81 HDAC2 (0.57) HDAC1HDAC2HDAC3KCNH2
SCHEMBL25161760 0.81 HDAC1 (0.47) HDAC1HDAC2HDAC3KCNH2
SCHEMBL25161114 0.81 HDAC2 (0.51) HDAC1HDAC2HDAC3KCNH2

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 HDAC1 2/4885HDAC2 1/4885HDAC3 5/4885

“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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