SCHEMBL13815840

SCHEMBL13815840

O=[N+]([O-])c1cccc([N+](=O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.77
LMNA P02545 2/20 0.77
CES2 O00748 1/20 0.64
CES1 P23141 1/20 0.64
ALDH1A1 P00352 6/20 0.63
ALOX15 P16050 1/20 0.63
ACHE P22303 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TP53 P04637 1/20 0.57
HSP90AA1 P07900 1/20 0.55
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.53
DDX3X O00571 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52

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
SCHEMBL9733865 0.98 TSHR (0.74) TSHRLMNACES2CES1ALDH1A1
Sulfuric Acid SCHEMBL34068 0.92 TSHR (0.65) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL28091203 0.88 TSHR (0.90) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL36632 0.88 TSHR (1.00) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL29291896 0.88 TSHR (1.00) TSHRLMNACES2CES1ALDH1A1
SCHEMBL17347353 0.88 TSHR (0.55) TSHRLMNACES2CES1ALDH1A1
SCHEMBL11392463 0.88 TSHR (0.59) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL27442892 0.86 TSHR (0.85) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL29143070 0.85 TSHR (0.94) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL9733868 0.85 TSHR (0.94) TSHRLMNACES2CES1ALDH1A1

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-20090163556-A1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHBITORS BUCHSTALLER HANS-PETER 2009-06-25 US disclosed
US-7476683-B2 e.g. N-(4-Chloro-3-trifluoro methyl phenyl)-2-[3-(4-pyridinyloxy)phenyl amino]-acetamide; serine/threonine kinase inhibitor; anticarcinogenic, antiproliferative, antidiabetic agent; autoimmune diseases; atherosclerosis, arthritis, Crohn's disease, retinopaty MERCK PATENT GMBH (DE) 2009-01-13 US disclosed
EP-1531817-B1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GMBH (DE) 2008-07-30 EP 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-20090163556-A1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHBITORS ARAF, BRAF, RAF1 TSHR 1873/4885LMNA 1941/4885CES2 1814/4885

“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.