SCHEMBL12416780

SCHEMBL12416780

O=[N+]([O-])c1cccc(/C=[N+](\[O-])c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.69
ALDH1A1 P00352 8/20 0.65
MAPT P10636 6/20 0.65
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
FBP1 P09467 2/20 0.57
VCP P55072 1/20 0.57
CYP19A1 P11511 1/20 0.57
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
MAOB P27338 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NR1H4 Q96RI1 1/20 0.52
G6PD P11413 2/20 0.51
RECQL P46063 2/20 0.51
ALOX15 P16050 1/20 0.51
GLO1 Q04760 1/20 0.51
AGTR1 P30556 1/20 0.50

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
SCHEMBL11795297 0.89 NFE2L2 (0.64) NFE2L2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16634847 0.87 ALDH1A1 (0.76) NFE2L2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16634831 0.87 ALDH1A1 (0.76) NFE2L2ALDH1A1MAPTMEN1KMT2A
SCHEMBL10710863 0.86 NFE2L2 (0.56) NFE2L2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5250012 0.85 NFE2L2 (0.73) NFE2L2ALDH1A1MAPTMEN1KMT2A
SCHEMBL11408255 0.83 G6PD (0.67) NFE2L2ALDH1A1MAPTMEN1KMT2A
SCHEMBL14880346 0.83 NFE2L2 (0.69) NFE2L2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1405314 0.81 NFE2L2 (1.00) NFE2L2ALDH1A1MAPTMEN1KMT2A
SCHEMBL12018202 0.81 ALDH1A1 (0.65) NFE2L2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1405312 0.81 NFE2L2 (1.00) NFE2L2ALDH1A1MAPTMEN1KMT2A

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-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 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 (2 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 NFE2L2 2158/4885ALDH1A1 3768/4885MAPT 3638/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 NFE2L2 2158/4885ALDH1A1 3768/4885MAPT 3638/4885

“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.