SCHEMBL24031180

SCHEMBL24031180

O=c1c2ccccc2n(Cc2ccc(I)cc2)c(=O)n1CCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.70
▸ HDAC6 Q9UBN7 14/20 0.67
▸ HDAC8 Q9BY41 12/20 0.67
▸ HDAC1 Q13547 11/20 0.67
▸ HDAC11 Q96DB2 8/20 0.67
▸ MELK Q14680 1/20 0.67
▸ THRB P10828 1/20 0.64
▸ HDAC3 O15379 1/20 0.61
▸ HDAC2 Q92769 1/20 0.61
▸ PGR P06401 1/20 0.56

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
SCHEMBL24031181 0.87 THRB (0.71) MAPTHDAC6HDAC8HDAC1HDAC11
SCHEMBL24004598 0.84 TSHR (0.67) MAPTHDAC6HDAC8HDAC1HDAC11
SCHEMBL13528242 0.83 MAPT (0.78) MAPTHDAC6HDAC8HDAC1HDAC11
SCHEMBL30317732 0.83 HDAC6 (0.76) MAPTHDAC6HDAC8HDAC1HDAC11
SCHEMBL24030718 0.81 HDAC6 (0.76) MAPTHDAC6HDAC8HDAC1HDAC11
SCHEMBL24031144 0.81 HDAC6 (1.00) HDAC6HDAC8HDAC1HDAC11MELK
SCHEMBL28354153 0.80 HDAC6 (0.68) MAPTHDAC6HDAC8HDAC1HDAC11
SCHEMBL24247586 0.79 HDAC1 (0.69) MAPTHDAC6HDAC8HDAC1HDAC11
SCHEMBL16674525 0.78 TSHR (0.73) MAPTHDAC6HDAC8HDAC1HDAC11
SCHEMBL24030751 0.77 HDAC6 (0.70) MAPTHDAC6HDAC8HDAC1HDAC11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110621317-B Inhibitors of Histone Deacetylase (HDACS) 安基生技新药股份有限公司 2023-05-12 — — CN disclosed
US-11535598-B2 Histone deacetylases (HDACs) inhibitors Annji Pharmaceutical Co., Ltd. (TW) 2022-12-27 — — US disclosed
EP-3624804-B1 HISTONE DEACETYLASES (HDACS) INHIBITORS ANNJI PHARM CO LTD (TW) 2022-02-16 — — EP disclosed
US-20210355089-A1 HISTONE DEACETYLASES (HDACS) INHIBITORS Annji Pharmaceutical Co., Ltd. (TW) 2021-11-18 — — 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 (2 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-11535598-B2 Histone deacetylases (HDACs) inhibitors HDAC1, HDAC3, HDAC2 MAPT 4540/4885HDAC6 11/4885HDAC8 6/4885
US-20210355089-A1 HISTONE DEACETYLASES (HDACS) INHIBITORS HDAC1, HDAC3, HDAC2 MAPT 4410/4885HDAC6 8/4885HDAC8 7/4885

“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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