SCHEMBL17483936

SCHEMBL17483936

CN(CCC1CC2CC(C1)C2)Cc1ccc(/C=C/C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.54
▸ HDAC2 Q92769 4/20 0.52
▸ KDM1A O60341 2/20 0.52
▸ MAOA P21397 2/20 0.52
▸ RARB P10826 1/20 0.48
▸ HDAC3 O15379 2/20 0.48
▸ HDAC4 P56524 2/20 0.48
▸ HDAC10 Q969S8 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ MAOB P27338 1/20 0.47

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
SCHEMBL19683023 0.89 HDAC1 (0.49) HDAC1HDAC2KDM1AMAOARARB
SCHEMBL17483929 0.89 HDAC1 (0.50) HDAC1HDAC2KDM1AMAOARARB
SCHEMBL17483935 0.87 HDAC3 (0.49) HDAC1HDAC2KDM1AMAOAHDAC3
SCHEMBL17483931 0.87 HDAC1 (0.49) HDAC1HDAC2KDM1AMAOAHDAC3
SCHEMBL19683024 0.87 HDAC1 (0.52) HDAC1HDAC2KDM1AMAOARARB
SCHEMBL17483934 0.84 HDAC6 (0.65) HDAC1HDAC2KDM1AMAOAHDAC3
SCHEMBL17483969 0.84 HDAC1 (0.44) HDAC1HDAC2KDM1AMAOARARB
SCHEMBL17483930 0.83 HDAC1 (0.54) HDAC1HDAC2HDAC3
SCHEMBL17478501 0.83 HDAC1 (0.71) HDAC1HDAC2KDM1AMAOARARB
SCHEMBL17478531 0.83 HDAC1 (0.71) HDAC1HDAC2KDM1AMAOARARB

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 4/4885KDM1A 70/4885

“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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