SCHEMBL30663244

SCHEMBL30663244

COC(=O)c1ccc2ccc([N+](=O)[O-])cc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 4/20 0.54
POLB P06746 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
KLKB1 P03952 1/20 0.43
ELANE P08246 1/20 0.43
CTRB1 P17538 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
DYRK1A Q13627 1/20 0.42
GUCY1B2 O75343 1/20 0.42
GUCY1A2 P33402 1/20 0.42
GUCY1A1 Q02108 1/20 0.42

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
SCHEMBL6965338 0.90 ALDH1A1 (0.53) ALDH1A1KDM4EGAAMAPTPOLB
SCHEMBL2902589 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EGAAMAPTPOLB
SCHEMBL2906892 0.81 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2AF2
SCHEMBL18572013 0.80 CA12 (0.47) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL4742373 0.78 MAPT (0.52) ALDH1A1GAAMAPTPOLBKMT2A
SCHEMBL9222973 0.77 MAPK1 (0.46) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL1202391 0.77 LCK (0.50) ALDH1A1KDM4EGAAMAPTPOLB
SCHEMBL5214685 0.77 ALDH1A1 (0.58) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL5990759 0.77 ALDH1A1 (0.58) ALDH1A1POLBMEN1KMT2AF2
SCHEMBL27856412 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326736-A1 FLUORESCENTLY-ACTIVE FREE RADICAL TAGS FOR SIMULTANEOUS GLYCAN QUANTITATION AND CHARACTERIZATION MONTCLAIR STATE UNIV (US) 2025-10-23 US disclosed
WO-2023235535-A1 FLUORESCENTLY-ACTIVE FREE RADICAL TAGS FOR SIMULTANEOUS GLYCAN QUANTITATION AND CHARACTERIZATION MONTCLAIR STATE UNIVERSITY (US) 2023-12-07 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-20250326736-A1 FLUORESCENTLY-ACTIVE FREE RADICAL TAGS FOR SIMULTANEOUS GLYCAN QUANTITATION AND CHARACTERIZATION LGALS9, NOX1, GLB1 ALDH1A1 471/4885KDM4E 3366/4885GAA 487/4885

“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.