SCHEMBL23950244

SCHEMBL23950244

COC(=O)c1ccc(CN2CCCCc3ccc(Cl)cc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.73
HDAC6 Q9UBN7 18/20 0.73
HDAC8 Q9BY41 5/20 0.60
HDAC3 O15379 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
RAB9A P51151 1/20 0.48

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
SCHEMBL19278655 0.88 HDAC1 (0.73) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL23950246 0.87 HDAC1 (0.76) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL28637847 0.85 HDAC1 (0.76) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL19278656 0.85 HDAC1 (0.73) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL30052657 0.85 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL23950389 0.85 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL26159147 0.84 HDAC1 (0.72) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL19260249 0.82 HDAC1 (0.72) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL19278472 0.81 HDAC1 (0.75) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL19278560 0.81 HDAC1 (0.75) HDAC1HDAC6HDAC8HDAC3HDAC2

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
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
WO-2021208945-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海中泽医药科技有限公司 2021-10-21 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-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HDAC11, HDAC1, HDAC6 HDAC1 2/4885HDAC6 3/4885HDAC8 5/4885

“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.