SCHEMBL5579744

SCHEMBL5579744

O=C(O)CCc1ccc2c(c1)NC(=O)C(Cc1c[nH]c3ccccc13)N2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
GSK3B P49841 2/20 0.53
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TACR2 P21452 8/20 0.45
KDM1A O60341 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44

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
SCHEMBL5416842 1.00 IDO1 (0.54) IDO1GSK3BKMT2AMEN1L3MBTL1
SCHEMBL5075727 0.89 IDO1 (0.51) IDO1GSK3BKMT2AMEN1L3MBTL1
SCHEMBL5075734 0.89 IDO1 (0.51) IDO1GSK3BKMT2AMEN1L3MBTL1
SCHEMBL6038005 0.80 GSK3B (0.72) IDO1GSK3BKMT2AMEN1L3MBTL1
SCHEMBL6038011 0.80 GSK3B (0.72) IDO1GSK3BKMT2AMEN1L3MBTL1
SCHEMBL5579410 0.80 IDO1 (0.61) IDO1GSK3BKMT2AMEN1L3MBTL1
SCHEMBL5579406 0.80 IDO1 (0.61) IDO1GSK3BKMT2AMEN1L3MBTL1
SCHEMBL5579360 0.79 IDO1 (0.53) IDO1GSK3BKMT2AMEN1L3MBTL1
SCHEMBL5147961 0.79 IDO1 (0.53) IDO1GSK3BKMT2AMEN1L3MBTL1
SCHEMBL5147967 0.79 IDO1 (0.53) IDO1GSK3BKMT2AMEN1L3MBTL1

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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 IDO1 1753/4885GSK3B 1113/4885KMT2A 111/4885

“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.