SCHEMBL5268675

SCHEMBL5268675

O=C(O)c1cc2cccc([N+](=O)[O-])c2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 1.00
PLCG2 P16885 2/20 0.62
MAPT P10636 3/20 0.61
MAPK1 P28482 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
HRH4 Q9H3N8 1/20 0.61
FBP1 P09467 10/20 0.55
THRB P10828 1/20 0.55
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 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
SCHEMBL1277212 1.00 APEX1 (1.00) APEX1PLCG2MAPTMAPK1NPC1
SCHEMBL3726872 0.91 APEX1 (0.82) APEX1PLCG2MAPTMAPK1NPC1
SCHEMBL1653052 0.86 APEX1 (0.76) APEX1PLCG2MAPTMAPK1NPC1
SCHEMBL28522107 0.82 APEX1 (0.70) APEX1PLCG2MAPTMAPK1NPC1
SCHEMBL6215530 0.82 APEX1 (0.70) APEX1PLCG2MAPTMAPK1NPC1
SCHEMBL1277489 0.82 APEX1 (0.70) APEX1PLCG2MAPTMAPK1NPC1
SCHEMBL1654091 0.82 APEX1 (0.69) APEX1PLCG2MAPTMAPK1NPC1
SCHEMBL21639494 0.81 APEX1 (0.68) APEX1PLCG2MAPTMAPK1NPC1
SCHEMBL27942805 0.81 APEX1 (0.68) APEX1PLCG2MAPTMAPK1NPC1
SCHEMBL1016404 0.79 APEX1 (0.65) APEX1PLCG2MAPTMAPK1NPC1

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-20250049812-A1 Compounds that Inhibit Necroptosis and Their Preparation Methods SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) 2025-02-13 US disclosed
EP-4403557-A1 COMPOUND THAT INHIBITS PROGRAMMED CELL NECROSIS, AND PREPARATION METHOD THEREFOR Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2024-07-24 EP disclosed
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 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-20250049812-A1 Compounds that Inhibit Necroptosis and Their Preparation Methods RIPK1, RIPK3, RIPK4 APEX1 1876/4885PLCG2 3282/4885MAPT 3176/4885

“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.