SCHEMBL17258455

SCHEMBL17258455

COC(=O)CN(C)Cc1cccc(CN=[N+]=[N-])n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE7B Q9NP56 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
EGFR P00533 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MMP2 P08253 1/20 0.30

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
SCHEMBL17263010 0.86 TDP1 (0.40) AOC3NPSR1HRH4GRIN2DGRIN3B
SCHEMBL17258393 0.83 HDAC1 (0.36) NPSR1MEN1KMT2A
SCHEMBL17258343 0.80 MEP1B (0.41) MEN1KMT2ANPC1RAB9A
SCHEMBL17258450 0.80 PTGER2 (0.35) MEN1KMT2A
SCHEMBL20442121 0.80 KDM4E (0.40) NPSR1KMT2AHRH4HDAC8HSD17B10
SCHEMBL20416907 0.78 MEN1 (0.35) MEN1KMT2A
SCHEMBL20416576 0.74 MRGPRX4 (0.45) NPC1RAB9A
SCHEMBL20416580 0.73 MEN1 (0.42) NPSR1MEN1KMT2AHRH4GRIN2D
SCHEMBL15259719 0.73 HRH4 (0.47) NPSR1HRH4GRIN2DGRIN3BGRIN1
SCHEMBL20416590 0.73 ALOX15 (0.33) NPSR1MEN1KMT2AHDAC8ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469656-B2 HDAC inhibitors as anti-cancer agents THE UNIVERSITY OF TOLEDO (US) 2016-10-18 US disclosed
US-20150329560-A1 HDAC Inhibitors as Anti-Cancer Agents THE UNIVERSITY OF TOLEDO (US) 2015-11-19 US disclosed
US-8999321-B2 Innovative discovery of therapeutic, diagnostic, and antibody compositions related to protein fragments of glycyl-tRNA synthetases ATYR PHARMA, INC. (US) 2015-04-07 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-20150329560-A1 HDAC Inhibitors as Anti-Cancer Agents HDAC1, HDAC4, HDAC5 AOC3 3252/4885NPSR1 4535/4885PDE7B 741/4885

“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.