SCHEMBL5579463

SCHEMBL5579463

O=C1Nc2ccccc2N(O)C1Cc1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.50
IDO1 P14902 2/20 0.48
GSK3B P49841 2/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
ALOX5 P09917 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
RIPK1 Q13546 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5579704 0.85 HDAC2 (0.44) CCKBRIDO1GSK3BMAPTHPGD
SCHEMBL5579548 0.81 CCKBR (0.47) CCKBRIDO1GSK3BMAPTHPGD
SCHEMBL5078374 0.77 HDAC6 (0.72) KMT2AMEN1L3MBTL1HDAC2HDAC8
SCHEMBL5078378 0.77 HDAC6 (0.72) KMT2AMEN1L3MBTL1HDAC2HDAC8
SCHEMBL5579384 0.77 HDAC8 (0.54) CCKBRIDO1MAPTHPGDUSP2
SCHEMBL5081643 0.77 HDAC6 (0.72) KMT2AMEN1L3MBTL1HDAC2HDAC8
SCHEMBL5579383 0.77 HDAC8 (0.54) CCKBRIDO1MAPTHPGDUSP2
SCHEMBL6037990 0.75 HDAC2 (0.50) MAPTKMT2AMEN1L3MBTL1HDAC2
SCHEMBL6037986 0.75 HDAC2 (0.50) MAPTKMT2AMEN1L3MBTL1HDAC2
SCHEMBL6038011 0.73 GSK3B (0.72) CCKBRIDO1GSK3BMAPTHPGD

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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US claimed
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 CCKBR 758/4885IDO1 1753/4885GSK3B 1113/4885

“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.