SCHEMBL25160987

SCHEMBL25160987

Nc1ccc(-c2cncs2)cc1NC(=O)c1cc2ccncc2cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 9/20 0.50
▸ HDAC3 O15379 9/20 0.49
▸ HDAC1 Q13547 9/20 0.49
▸ KCNH2 Q12809 4/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C18 P33260 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL25161728 0.89 HDAC2 (0.54) HDAC2HDAC3HDAC1KCNH2HDAC4
SCHEMBL25160971 0.82 HDAC3 (0.48) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL25161237 0.82 HDAC1 (0.48) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL25161763 0.81 HDAC3 (0.51) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL25161064 0.78 HDAC2 (0.52) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL25161705 0.78 ABL1 (0.47) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL25161232 0.78 HDAC3 (0.48) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL25161356 0.77 HDAC3 (0.50) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL25161748 0.77 HDAC3 (0.50) HDAC2HDAC3HDAC1KCNH2CYP1A2
SCHEMBL25160985 0.77 HDAC3 (0.48) HDAC2HDAC3HDAC1KCNH2CYP1A2

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

“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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