SCHEMBL6013769

SCHEMBL6013769

COC(=O)c1cnc(N2CCc3c(c4ccccc4n3-c3ccccc3N)C2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 7/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC3 O15379 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
NCOR2 Q9Y618 3/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
OGA O60502 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 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
SCHEMBL6013779 0.88 HDAC6 (0.43) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2969834 0.77 HTR5A (0.44) MAPTNPC1RAB9AKMT2AHDAC6
SCHEMBL2971545 0.74 HDAC1 (0.40) MAPTNPC1RAB9AKMT2AHDAC6
SCHEMBL2978160 0.73 HDAC1 (0.53) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2979569 0.72 HTR6 (0.49) KMT2AHDAC6HDAC1HDAC2
SCHEMBL2977066 0.72 HDAC6 (0.45) HDAC6HDAC1OGAKDM4E
SCHEMBL2969790 0.70 TRPV1 (0.50) HDAC6HDAC1KDM4E
SCHEMBL2972415 0.69 KMT2A (0.40) MAPTNPC1RAB9AKMT2AOGA
SCHEMBL2979002 0.69 HDAC1 (0.43) NPC1RAB9AKMT2AHDAC6HDAC1
SCHEMBL2970696 0.67 BAZ2B (0.56) KMT2AOGAKDM4ESMN1; SMN2CYP1A2

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-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 SCN9A 3752/4885MAPT 2758/4885NPC1 2348/4885

“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.