SCHEMBL1866534

SCHEMBL1866534

CC(C)(C)OC(=O)NCCc1cc(CN)cc(CN)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.49
CA1 P00915 6/20 0.49
NQO2 P16083 1/20 0.46
NAMPT P43490 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGER4 P35408 1/20 0.43
IDO1 P14902 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL27832827 0.88 NQO2 (0.51) CA2CA1NQO2NAMPTIDO1
SCHEMBL23449213 0.88 CA2 (0.58) CA2CA1NQO2NAMPTTDP1
SCHEMBL207080 0.86 TDP1 (0.50) CA2CA1NQO2NAMPTTDP1
SCHEMBL15805859 0.84 CA1 (0.46) CA2CA1NQO2NAMPTTDP1
SCHEMBL13400107 0.84 CA1 (0.46) CA2CA1NQO2NAMPTTDP1
SCHEMBL27113191 0.84 KDM4A (0.46) CA2CA1NAMPTTDP1GAA
SCHEMBL15926176 0.82 CA1 (0.44) CA2CA1NQO2NAMPTTDP1
SCHEMBL5264226 0.81 CA2 (0.58) CA2CA1NQO2NAMPTTDP1
SCHEMBL5117803 0.81 CA1 (0.46) CA2CA1NQO2NAMPTTDP1
SCHEMBL6414458 0.80 CA2 (0.49) CA2CA1NQO2NAMPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796300-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-08-05 US disclosed
US-20120238595-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-09-20 US disclosed
EP-2496704-A1 THERAPEUTIC COMPOUNDS Rutgers, The State University of New Jersey (US) 2012-09-12 EP disclosed
WO-2011057126-A1 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-05-12 WO 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-20120238595-A1 THERAPEUTIC COMPOUNDS CCNY, MKI67, MCL1 CA2 4167/4885CA1 4563/4885NQO2 64/4885

“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.