SCHEMBL26159147

SCHEMBL26159147

COC(=O)c1ccc(CN2CCCCc3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.72
HDAC6 Q9UBN7 15/20 0.72
HDAC8 Q9BY41 4/20 0.72
HDAC3 O15379 1/20 0.68
HDAC2 Q92769 1/20 0.68
SIRT1 Q96EB6 1/20 0.53
TNF P01375 1/20 0.53
KCNQ2 O43526 1/20 0.50

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
SCHEMBL19260249 0.97 HDAC1 (0.72) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL3856028 0.92 HDAC6 (0.60) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL23950244 0.84 HDAC1 (0.73) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL26159269 0.84 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL23950246 0.83 HDAC1 (0.76) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL31476414 0.83 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL17502340 0.83 HDAC1 (0.76) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL19278655 0.82 HDAC1 (0.73) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL7019943 0.82 HDAC6 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL19260275 0.81 HDAC1 (0.74) 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 2 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

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.