SCHEMBL22487788

SCHEMBL22487788

CN1CC(=O)N2CCc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C2C1O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 20/20 0.67
▸ HDAC2 Q92769 11/20 0.67
▸ HDAC8 Q9BY41 11/20 0.67
▸ HDAC1 Q13547 7/20 0.61
▸ HDAC10 Q969S8 6/20 0.61
▸ HDAC3 O15379 3/20 0.61
▸ NCOR2 Q9Y618 3/20 0.61
▸ HDAC4 P56524 3/20 0.61
▸ HDAC7 Q8WUI4 2/20 0.61
▸ HDAC11 Q96DB2 2/20 0.61
▸ HDAC5 Q9UQL6 2/20 0.61
▸ HDAC9 Q9UKV0 1/20 0.61

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
SCHEMBL20605285 0.84 HDAC6 (0.77) HDAC6HDAC2HDAC8HDAC1HDAC10
SCHEMBL20629348 0.82 HDAC6 (0.67) HDAC6HDAC2HDAC8HDAC1HDAC10
SCHEMBL20605440 0.80 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC10
Tubastatin A SCHEMBL1057119 0.76 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC10
Tubastatin A SCHEMBL29356061 0.76 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC10
SCHEMBL14994555 0.75 HDAC6 (0.69) HDAC6HDAC2HDAC8HDAC1HDAC10
Tubastatin A SCHEMBL18526698 0.75 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC10
Tubastatin A SCHEMBL29379429 0.75 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC10
SCHEMBL19138935 0.75 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC10
SCHEMBL19167870 0.75 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC10

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-11198694-B2 HDAC6 inhibitors, with improved solubility and their uses UNIVERSITÄT REGENSBURG (DE) 2021-12-14 — — US disclosed
US-20200308174-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2020-10-01 — — 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 (2 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-11198694-B2 HDAC6 inhibitors, with improved solubility and their uses HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC2 4/4885HDAC8 6/4885
US-20200308174-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES HDAC6, HDAC1, HDAC2 HDAC6 1/4885HDAC2 3/4885HDAC8 6/4885

“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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