SCHEMBL14706185

SCHEMBL14706185

CCC(C)(N)CCN(Cc1ccc(CN(CCC(C)(N)CC)C(=O)CCC(=O)NC)cc1)C(=O)CCC(=O)NC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.41
▸ HDAC1 Q13547 7/20 0.41
▸ HDAC3 O15379 5/20 0.41
▸ HDAC2 Q92769 5/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ HDAC4 P56524 4/20 0.38
▸ HDAC7 Q8WUI4 4/20 0.38
▸ HDAC10 Q969S8 4/20 0.38
▸ HDAC11 Q96DB2 4/20 0.38
▸ HDAC8 Q9BY41 4/20 0.38
▸ HDAC9 Q9UKV0 4/20 0.38
▸ HDAC5 Q9UQL6 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ TPSAB1 Q15661 2/20 0.36
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA4 P22748 2/20 0.35
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL13493234 0.86 TSHR (0.45) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL13933352 0.85 HDAC3 (0.41) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL13933350 0.81 HDAC3 (0.41) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL13933353 0.81 HDAC3 (0.41) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL13932953 0.78 USP2 (0.45) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL13493226 0.75 HDAC1 (0.40) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL14706004 0.75 HDAC3 (0.34) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL14097282 0.73 SLC6A4 (0.35) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL13933216 0.72 TPSAB1 (0.42) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL13528785 0.72 HDAC1 (0.37) HDAC6HDAC1HDAC3HDAC2NCOR2

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-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. (US) 2013-02-14 — — 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-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 HDAC6 624/4885HDAC1 448/4885HDAC3 2094/4885

“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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