SCHEMBL19683097

SCHEMBL19683097

O=C(/C=C/c1ccc(CN(CCF)CC23CCC4CCC(CC4C2)C3)cc1)NO

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 14/20 0.75
▸ HDAC6 Q9UBN7 14/20 0.75
▸ HDAC1 Q13547 13/20 0.75
▸ HDAC5 Q9UQL6 9/20 0.75
▸ HDAC8 Q9BY41 10/20 0.52
▸ HDAC2 Q92769 8/20 0.52
▸ HDAC4 P56524 7/20 0.52
▸ HDAC10 Q969S8 5/20 0.52
▸ KCNH2 Q12809 1/20 0.43
▸ MAPK1 P28482 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC7 Q8WUI4 4/20 0.37
▸ HDAC11 Q96DB2 4/20 0.37
▸ HDAC9 Q9UKV0 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL17483887 0.86 HDAC6 (1.00) HDAC3HDAC6HDAC1HDAC5HDAC8
SCHEMBL19678424 0.78 HDAC6 (0.85) HDAC3HDAC6HDAC1HDAC5HDAC8
SCHEMBL19683104 0.74 HDAC1 (0.54) HDAC3HDAC6HDAC1HDAC5HDAC8
SCHEMBL19682900 0.74 HDAC1 (0.73) HDAC3HDAC6HDAC1HDAC5HDAC8
SCHEMBL17483985 0.73 HDAC1 (0.66) HDAC3HDAC6HDAC1HDAC5HDAC8
SCHEMBL17483920 0.73 HDAC1 (0.66) HDAC3HDAC6HDAC1HDAC5HDAC8
SCHEMBL18085897 0.73 HDAC6 (0.94) HDAC3HDAC6HDAC1HDAC5HDAC8
SCHEMBL19666006 0.69 HDAC6 (1.00) HDAC3HDAC6HDAC1HDAC5HDAC8
SCHEMBL19678427 0.69 HDAC6 (1.00) HDAC3HDAC6HDAC1HDAC5HDAC8
SCHEMBL22332695 0.69 HDAC1 (0.89) HDAC3HDAC6HDAC1HDAC5HDAC8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349540-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION 2017-12-07 — — 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-20170349540-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 HDAC3 5/4885HDAC6 10/4885HDAC1 1/4885

“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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