SCHEMBL5579704

SCHEMBL5579704

NC(=O)c1ccc2c(c1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)N2O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CCKBR P32239 4/20 0.42
IDO1 P14902 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
TSHR P16473 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR5A P47898 1/20 0.41
HTR6 P50406 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5579463 0.85 CCKBR (0.50) HDAC2HDAC8HDAC6CCKBRIDO1
SCHEMBL5579548 0.70 CCKBR (0.47) HDAC2HDAC8HDAC6CCKBRIDO1
SCHEMBL5081643 0.70 HDAC6 (0.72) HDAC2HDAC8HDAC6KMT2AMEN1
SCHEMBL5078374 0.70 HDAC6 (0.72) HDAC2HDAC8HDAC6KMT2AMEN1
SCHEMBL5078378 0.70 HDAC6 (0.72) HDAC2HDAC8HDAC6KMT2AMEN1
SCHEMBL25368489 0.68 MAPT (0.52) HDAC2HDAC8HDAC6CCKBRIDO1
SCHEMBL25368484 0.68 MAPT (0.52) HDAC2HDAC8HDAC6CCKBRIDO1
SCHEMBL5082100 0.67 IDO1 (0.55) HDAC2HDAC8HDAC6CCKBRIDO1
SCHEMBL5079028 0.67 IDO1 (0.55) HDAC2HDAC8HDAC6CCKBRIDO1
SCHEMBL5579383 0.66 HDAC8 (0.54) HDAC2HDAC8HDAC6CCKBRIDO1

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 HDAC2 4/4885HDAC8 9/4885HDAC6 24/4885

“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.