SCHEMBL14706059

SCHEMBL14706059

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC3 O15379 4/20 0.34
▸ HDAC4 P56524 4/20 0.34
▸ HDAC1 Q13547 4/20 0.34
▸ HDAC7 Q8WUI4 4/20 0.34
▸ HDAC2 Q92769 4/20 0.34
▸ HDAC10 Q969S8 4/20 0.34
▸ HDAC11 Q96DB2 4/20 0.34
▸ HDAC8 Q9BY41 4/20 0.34
▸ HDAC6 Q9UBN7 4/20 0.34
▸ HDAC9 Q9UKV0 4/20 0.34
▸ HDAC5 Q9UQL6 4/20 0.34
▸ TPSAB1 Q15661 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL13933216 0.84 TPSAB1 (0.42) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL13908255 0.75 TPSAB1 (0.42) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL13933350 0.74 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14097556 0.74 MEN1 (0.34) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL13521689 0.73 TPSAB1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14703486 0.70 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13919712 0.68 TPSAB1 (0.47) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL13933353 0.68 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13521700 0.66 TPSAB1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13521694 0.66 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2

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 MEN1 552/4885KMT2A 2822/4885HDAC3 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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