SCHEMBL10041286

SCHEMBL10041286

CC(C)(C)C(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.71
PDK2 Q15119 1/20 0.71
PDK3 Q15120 1/20 0.71
PDK4 Q16654 1/20 0.71
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 2/20 0.57
KCNMA1 Q12791 1/20 0.55
CETP P11597 1/20 0.54
PHGDH O43175 1/20 0.54
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TP53 P04637 1/20 0.52
NPC1 O15118 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL95284 0.87 PDK1 (0.68) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL5445943 0.85 ALDH1A1 (0.79) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL30093275 0.83 PDK1 (0.71) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL5103222 0.83 PDK1 (0.71) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL29740651 0.81 KMT2A (0.69) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL733777 0.81 KMT2A (0.69) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL5017673 0.81 PDK1 (0.72) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL6857920 0.80 KMT2A (0.73) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL11332310 0.80 KMT2A (0.73) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL95406 0.80 PDK1 (0.59) PDK1PDK2PDK3PDK4KMT2A

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-8147987-B2 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-8147987-B2 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 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-20070202357-A1 Organic electroluminescent element and compounds for use in the element RPL31, RPL38, RPL39 PDK1 2604/4885PDK2 2481/4885PDK3 2228/4885

“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.