SCHEMBL15933368

SCHEMBL15933368

Cc1ccc2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 10/20 1.00
▸ HDAC1 Q13547 11/20 0.72
▸ HDAC3 O15379 2/20 0.64
▸ BRD4 O60885 4/20 0.58
▸ HDAC4 P56524 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54

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
SCHEMBL15685084 0.90 HDAC2 (1.00) HDAC2HDAC1HDAC3BRD4HDAC4
SCHEMBL15685116 0.90 HDAC2 (1.00) HDAC2HDAC1HDAC3BRD4HDAC4
SCHEMBL15685265 0.89 HDAC2 (1.00) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL15685106 0.89 HDAC2 (0.84) HDAC2HDAC1HDAC3BRD4HDAC4
SCHEMBL15685085 0.88 HDAC2 (0.82) HDAC2HDAC1HDAC3BRD4
SCHEMBL15685117 0.88 HDAC2 (1.00) HDAC2HDAC1HDAC3BRD4HDAC4
SCHEMBL15653071 0.87 HDAC2 (0.76) HDAC2HDAC1HDAC3
SCHEMBL15685118 0.87 HDAC2 (1.00) HDAC2HDAC1BRD4
SCHEMBL14845701 0.82 KDM4E (0.72) HDAC2HDAC1
SCHEMBL18750643 0.82 HDAC2 (0.67) HDAC2HDAC1HDAC3

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-9040727-B2 Histone deacetylase inhibitor of benzamides and use thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-05-26 — — US disclosed
US-20140221431-A1 NOVEL HISTONE DEACETYLASE INHIBITOR OF BENZAMIDES AND USE THEREOF SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2014-08-07 — — 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-20140221431-A1 NOVEL HISTONE DEACETYLASE INHIBITOR OF BENZAMIDES AND USE THEREOF HDAC2, HDAC1, HDAC5 HDAC2 1/4885HDAC1 2/4885HDAC3 11/4885

“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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