SCHEMBL17483929

SCHEMBL17483929

CN(CCC1CC2CC(C1)C2)Cc1ccc(/C=C/C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.50
▸ HDAC2 Q92769 4/20 0.48
▸ HDAC3 O15379 4/20 0.48
▸ RARB P10826 1/20 0.47
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 1/20 0.44
▸ KDM1A O60341 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ ACHE P22303 4/20 0.42
▸ BCHE P06276 3/20 0.42
▸ LTB4R Q15722 1/20 0.41

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
SCHEMBL17483969 0.92 HDAC1 (0.44) HDAC1HDAC2HDAC3RARBMAOA
SCHEMBL17483936 0.89 HDAC1 (0.54) HDAC1HDAC2HDAC3RARBMAOA
SCHEMBL17483930 0.88 HDAC1 (0.54) HDAC1HDAC2HDAC3
SCHEMBL17483931 0.87 HDAC1 (0.49) HDAC1HDAC2HDAC3MAOAMAOB
SCHEMBL17483933 0.85 HDAC1 (0.64) HDAC1HDAC2HDAC3RARBMAOA
SCHEMBL19682893 0.83 HDAC1 (0.51) HDAC1HDAC2HDAC3RARBMAOA
SCHEMBL17483935 0.82 HDAC3 (0.49) HDAC1HDAC2HDAC3MAOAMAOB
SCHEMBL17483973 0.82 HDAC1 (0.47) HDAC1HDAC2HDAC3RARBMAOA
SCHEMBL19683023 0.79 HDAC1 (0.49) HDAC1HDAC2HDAC3RARBMAOA
SCHEMBL17483934 0.79 HDAC6 (0.65) HDAC1HDAC2HDAC3MAOAMAOB

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-20170349540-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION 2017-12-07 — — US disclosed
WO-2016018795-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-04 — — WO 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 HDAC1 1/4885HDAC2 4/4885HDAC3 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.

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