SCHEMBL17483969

SCHEMBL17483969

CN(CCC1CC2CC(C1)C2)Cc1ccc(/C=C/C(=O)Nc2cc(-c3ccncc3)ccc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.44
▸ HDAC3 O15379 5/20 0.44
▸ RARB P10826 1/20 0.42
▸ HDAC2 Q92769 8/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C18 P33260 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 1/20 0.37
▸ KDM1A O60341 1/20 0.37

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
SCHEMBL17483929 0.92 HDAC1 (0.50) HDAC1HDAC3RARBHDAC2HDAC4
SCHEMBL17483930 0.87 HDAC1 (0.54) HDAC1HDAC3HDAC2
SCHEMBL17483931 0.86 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL17484001 0.84 HDAC1 (0.47) HDAC1HDAC3RARBHDAC2HDAC4
SCHEMBL17483936 0.84 HDAC1 (0.54) HDAC1HDAC3RARBHDAC2HDAC4
SCHEMBL19683015 0.83 HDAC1 (0.50) HDAC1HDAC3RARBHDAC2HDAC4
SCHEMBL17483935 0.81 HDAC3 (0.49) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL17483934 0.78 HDAC6 (0.65) HDAC1HDAC3HDAC2HDAC4HDAC6
SCHEMBL17483933 0.77 HDAC1 (0.64) HDAC1HDAC3RARBHDAC2HDAC4
SCHEMBL17483903 0.76 HDAC2 (0.53) HDAC1HDAC3HDAC2

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 1/4885HDAC3 5/4885RARB 2547/4885

“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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