SCHEMBL22487712

SCHEMBL22487712

CCCCOC(=O)c1ccc(Cn2c3c(c4cc(OCCN5CCOCC5)ccc42)C2C(=O)N(C)CC(=O)N2CC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 10/20 0.55
▸ HDAC6 Q9UBN7 10/20 0.55
▸ HDAC8 Q9BY41 8/20 0.55
▸ HDAC3 O15379 7/20 0.48
▸ HDAC1 Q13547 7/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL20629340 0.92 HDAC6 (0.48) HDAC2HDAC6HDAC8HDAC3HDAC1
SCHEMBL20629477 0.91 HDAC6 (0.59) HDAC2HDAC6HDAC8HDAC3HDAC1
SCHEMBL20629290 0.90 HDAC6 (0.58) HDAC2HDAC6HDAC8HDAC3HDAC1
SCHEMBL20635578 0.90 HDAC6 (0.58) HDAC2HDAC6HDAC8HDAC3HDAC1
SCHEMBL20629485 0.89 HDAC6 (0.69) HDAC2HDAC6HDAC8HDAC3HDAC1
Hydrochloric Acid SCHEMBL20605308 0.88 HDAC6 (0.70) HDAC2HDAC6HDAC8HDAC3HDAC1
SCHEMBL20629487 0.87 HDAC2 (0.54) HDAC2HDAC6HDAC8HDAC3HDAC1
SCHEMBL20628948 0.85 HDAC6 (0.55) HDAC2HDAC6HDAC8HDAC3HDAC1
SCHEMBL22486713 0.82 HDAC6 (0.51) HDAC2HDAC6HDAC8HDAC3HDAC1
SCHEMBL20629341 0.82 HDAC6 (0.60) HDAC2HDAC6HDAC8HDAC3HDAC1

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 HDAC2 4/4885HDAC6 1/4885HDAC8 6/4885
US-20200308174-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES HDAC6, HDAC1, HDAC2 HDAC2 3/4885HDAC6 1/4885HDAC8 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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