SCHEMBL2969834

SCHEMBL2969834

COC(=O)c1cnc(N2CCc3c(n(C)c4ccccc34)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.44
HDAC6 Q9UBN7 5/20 0.43
HDAC10 Q969S8 4/20 0.40
HDAC8 Q9BY41 3/20 0.40
GRM5 P41594 1/20 0.40
RAB9A P51151 2/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 2/20 0.39
MAPT P10636 1/20 0.39
OGA O60502 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 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
SCHEMBL2973507 0.87 HDAC6 (0.54) HTR5AHDAC6HDAC10HDAC8GRM5
SCHEMBL2978160 0.84 HDAC1 (0.53) HDAC6HDAC10HDAC8HDAC1HDAC3
SCHEMBL2971545 0.83 HDAC1 (0.40) HDAC6RAB9ANPC1KMT2AHDAC1
SCHEMBL2969790 0.77 TRPV1 (0.50) HDAC6HDAC1
SCHEMBL6013769 0.77 SCN9A (0.37) HDAC6HDAC10HDAC8RAB9ACYP1A2
SCHEMBL2979002 0.77 HDAC1 (0.43) HDAC6RAB9ANPC1KMT2AHDAC1
SCHEMBL2972415 0.77 KMT2A (0.40) RAB9ANPC1KMT2AMAPTOGA
SCHEMBL2971987 0.75 HDAC6 (0.46) HDAC6HDAC10HDAC8HDAC1HDAC3
SCHEMBL2979875 0.73 HDAC6 (0.53) HDAC6HDAC10HDAC8HDAC1HDAC3
SCHEMBL2972874 0.72 HDAC6 (0.52) HDAC6HDAC10HDAC8HDAC1HDAC3

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-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
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 HTR5A 3533/4885HDAC6 11/4885HDAC10 8/4885

“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.