SCHEMBL23950280

SCHEMBL23950280

O=C(NO)c1ccc(CN2CCCOc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 1.00
HDAC6 Q9UBN7 19/20 1.00
HDAC8 Q9BY41 6/20 0.65
HDAC3 O15379 3/20 0.65
HDAC2 Q92769 3/20 0.65
HDAC4 P56524 3/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
HDAC10 Q969S8 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
KCNH2 Q12809 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL19278553 0.79 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL26159269 0.79 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL18581608 0.79 HDAC1 (0.65) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL25058874 0.78 HDAC1 (0.68) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL23950277 0.76 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL23950274 0.76 HDAC1 (0.72) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1366170 0.76 HDAC6 (0.61) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL20879365 0.76 HDAC1 (0.85) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL18581862 0.75 HDAC1 (0.60) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL23950282 0.75 HDAC6 (0.64) 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 6 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
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.