SCHEMBL26159154

SCHEMBL26159154

O=C(NO)c1ccc(CN2CCc3ccccc3CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 1.00
▸ HDAC6 Q9UBN7 9/20 1.00
▸ HDAC4 P56524 3/20 0.76
▸ KCNH2 Q12809 2/20 0.76
▸ HDAC8 Q9BY41 2/20 0.70
▸ KDM4E B2RXH2 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ POLB P06746 1/20 0.63
▸ TNF P01375 2/20 0.62
▸ NOD2 Q9HC29 2/20 0.62
▸ NOD1 Q9Y239 2/20 0.62
▸ HDAC3 O15379 1/20 0.62
▸ HDAC2 Q92769 1/20 0.62
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ HPGD P15428 1/20 0.59
▸ HTT P42858 1/20 0.59

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
SCHEMBL29228583 0.93 HDAC1 (0.87) HDAC1HDAC6HDAC4KCNH2KDM4E
SCHEMBL30960755 0.93 HDAC1 (0.87) HDAC1HDAC6HDAC4KCNH2KDM4E
SCHEMBL12472215 0.83 HDAC6 (1.00) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL25058865 0.82 HDAC6 (1.00) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL20879365 0.82 HDAC1 (0.85) HDAC1HDAC6HDAC4HDAC8TNF
SCHEMBL26159155 0.81 HDAC1 (0.68) HDAC1HDAC6KDM4ESMN1; SMN2POLB
SCHEMBL25058864 0.81 HDAC1 (1.00) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL28742702 0.80 HDAC1 (0.81) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL1365734 0.79 HDAC6 (0.70) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL29196444 0.79 HDAC1 (0.84) HDAC1HDAC6HDAC4KCNH2HDAC8

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 3/4885HDAC4 8/4885

“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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