SCHEMBL399101

SCHEMBL399101

O=[N+]([O-])Nc1cccc(I)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
EGFR P00533 2/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
DDX3X O00571 1/20 0.37
HTT P42858 1/20 0.37

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
Nitroanilide SCHEMBL6001 0.78 L3MBTL1 (0.50) CA12CA2CA9MEN1MAPT
Nitroanilide SCHEMBL5718352 0.78 L3MBTL1 (0.50) CA12CA2CA9MEN1MAPT
Nitroanilide SCHEMBL30436028 0.76 L3MBTL1 (0.48) CA12CA2CA9MEN1MAPT
Nitroanilide SCHEMBL29195338 0.76 L3MBTL1 (0.48) CA12CA2CA9MEN1MAPT
Nitroanilide SCHEMBL28530795 0.76 L3MBTL1 (0.48) CA12CA2CA9MEN1MAPT
Nitroanilide SCHEMBL3094185 0.76 L3MBTL1 (0.48) CA12CA2CA9MEN1MAPT
Nitroanilide SCHEMBL4541850 0.76 L3MBTL1 (0.48) CA12CA2CA9MEN1MAPT
Nitroanilide SCHEMBL29021277 0.76 L3MBTL1 (0.48) CA12CA2CA9MEN1MAPT
Nitroanilide SCHEMBL20876421 0.76 L3MBTL1 (0.48) CA12CA2CA9MEN1MAPT
Nitroanilide SCHEMBL27711929 0.76 L3MBTL1 (0.48) CA12CA2CA9MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043646-B1 (E)-N-{3-(8-Chloro-11H-10-oxa-1-aza- dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-phenyl} -methanesulfonamide as a GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE LILLY CO ELI (US) 2012-05-16 EP disclosed
US-8101760-B2 Glucocorticoid receptor modulator and methods of use ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2010-03-18 US disclosed
EP-2043646-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2009-04-08 EP disclosed
WO-2008008882-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2008-01-17 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-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE NR3C1, NR3C2, MC2R TRPV1 266/4885EGFR 1475/4885CA12 2885/4885

“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.