SCHEMBL25058864

SCHEMBL25058864

COc1ccc2c(c1)CCN(Cc1ccc(C(=O)NO)cc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 1.00
▸ HDAC6 Q9UBN7 13/20 1.00
▸ TNF P01375 1/20 0.58
▸ NOD2 Q9HC29 1/20 0.58
▸ NOD1 Q9Y239 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC4 P56524 1/20 0.54
▸ KCNH2 Q12809 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
SCHEMBL25058882 0.88 HDAC1 (0.79) HDAC1HDAC6TNFNOD2NOD1
SCHEMBL12895811 0.86 HDAC1 (0.76) HDAC1HDAC6TNFNOD2NOD1
SCHEMBL20548055 0.83 HDAC1 (0.88) HDAC1HDAC6HDAC8HDAC4
SCHEMBL26159154 0.81 HDAC1 (1.00) HDAC1HDAC6TNFNOD2NOD1
SCHEMBL25058892 0.80 HDAC1 (0.66) HDAC1HDAC6KCNH2
SCHEMBL26159142 0.79 HDAC1 (0.65) HDAC1HDAC6HDAC8
SCHEMBL3148037 0.79 HDAC1 (0.65) HDAC1HDAC6KCNH2
SCHEMBL23950270 0.79 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC4
SCHEMBL30053304 0.79 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC4
SCHEMBL23950268 0.79 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI ZHONGZE THERAPEUTICS, CO. LTD. (CN) 2023-05-25 — — US disclosed
US-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI ZHONGZE THERAPEUTICS, CO. LTD. (CN) 2023-05-25 — — US disclosed
EP-4137483-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Zhongze Therapeutics, Co. Ltd. (CN) 2023-02-22 — — EP disclosed
CN-113527206-B Benzoazaheterocycle compound, preparation method and application thereof 上海中泽医药科技有限公司 2022-12-30 — — CN disclosed
CN-113527206-A Benzoazaheterocycle compound, preparation method and application thereof 上海中泽医药科技有限公司 2021-10-22 — — CN 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-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HDAC11, HDAC1, HDAC6 HDAC1 2/4885HDAC6 3/4885TNF 2322/4885

“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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