SCHEMBL19682895

SCHEMBL19682895

CN(Cc1ccc(/C=C/C(=O)Nc2cc(F)ccc2N)cc1)CC12CC3CC(CC1C3)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 0.54
▸ HDAC2 Q92769 7/20 0.54
▸ HDAC3 O15379 7/20 0.54
▸ HDAC6 Q9UBN7 6/20 0.54
▸ HDAC5 Q9UQL6 4/20 0.54
▸ HDAC4 P56524 3/20 0.54
▸ HDAC10 Q969S8 3/20 0.54
▸ HDAC8 Q9BY41 2/20 0.54
▸ KDM1A O60341 2/20 0.44
▸ RARB P10826 1/20 0.42
▸ NCOR1 O75376 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL17483983 0.93 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL17483902 0.91 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL19682890 0.88 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL19682893 0.88 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL19683015 0.86 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL17483990 0.84 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL17483897 0.84 HDAC3 (0.67) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL17483931 0.82 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL19682892 0.82 HDAC6 (0.78) HDAC1HDAC2HDAC3HDAC6HDAC5
SCHEMBL22951078 0.82 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC6HDAC5

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 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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