SCHEMBL4566800

SCHEMBL4566800

NC(=O)C(NC(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.67
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
KMT2A Q03164 2/20 0.55
CNR1 P21554 2/20 0.54
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
PSMB8 P28062 1/20 0.51
PSMB5 P28074 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL11335722 0.88 CNR2 (0.69) CNR2ALDH1A1HPGDKMT2ACNR1
SCHEMBL7855746 0.88 CNR2 (0.69) CNR2ALDH1A1HPGDKMT2ACNR1
SCHEMBL7378852 0.85 CNR2 (0.65) CNR2ALDH1A1HPGDKMT2ACNR1
SCHEMBL7378854 0.85 CNR2 (0.65) CNR2ALDH1A1HPGDKMT2ACNR1
SCHEMBL1363688 0.84 CNR2 (0.46) CNR2ALDH1A1HPGDKMT2ACNR1
SCHEMBL13447506 0.84 CTSC (0.46) CNR2ALDH1A1HPGDKMT2ACNR1
SCHEMBL1363689 0.84 CNR2 (0.46) CNR2ALDH1A1HPGDKMT2ACNR1
SCHEMBL18196590 0.83 LMNA (0.50) CNR2ALDH1A1HPGDKMT2ACNR1
SCHEMBL12182395 0.83 LMNA (0.50) CNR2ALDH1A1HPGDKMT2ACNR1
SCHEMBL8303023 0.82 CNR2 (0.49) CNR2ALDH1A1HPGDKMT2ACNR1

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 CNR2 3937/4885ALDH1A1 532/4885HPGD 215/4885

“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.