SCHEMBL23517907

SCHEMBL23517907

Cc1ccc(C(=O)Nc2cc(-c3ccc(F)nc3)ccc2N)nc1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 12/20 0.46
▸ HDAC3 O15379 9/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ HDAC1 Q13547 7/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C18 P33260 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MCHR1 Q99705 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ BTK Q06187 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
SCHEMBL25161116 0.91 HDAC2 (0.46) HDAC2HDAC3KCNH2HDAC1CYP1A2
SCHEMBL25161006 0.85 HDAC2 (0.50) HDAC2HDAC3KCNH2HDAC1CYP1A2
SCHEMBL25161862 0.83 HDAC2 (0.46) HDAC2HDAC3KCNH2HDAC1CYP1A2
SCHEMBL23517747 0.83 SMN1; SMN2 (0.54) HDAC2HDAC3KCNH2HDAC1CYP1A2
SCHEMBL25161246 0.83 HDAC2 (0.57) HDAC2HDAC3KCNH2HDAC1CYP1A2
SCHEMBL23517822 0.83 HDAC2 (0.46) HDAC2HDAC3KCNH2HDAC1CYP1A2
SCHEMBL25161114 0.82 HDAC2 (0.51) HDAC2HDAC3KCNH2HDAC1CYP1A2
SCHEMBL25161809 0.81 HDAC2 (0.46) HDAC2HDAC3KCNH2HDAC1CYP1A2
SCHEMBL25160989 0.80 HDAC2 (0.48) HDAC2HDAC3KCNH2HDAC1CYP1A2
SCHEMBL25161745 0.80 HDAC1 (0.53) HDAC2HDAC3KCNH2HDAC1CYP1A2

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 HDAC2 1/4885HDAC3 5/4885KCNH2 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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