SCHEMBL20464764

SCHEMBL20464764

O=[N+]([O-])c1ccc(/C=C/c2ccc(O)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.56
▸ PTGS2 P35354 3/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ RAB9A P51151 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ MAPT P10636 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ PIM1 P11309 1/20 0.49
▸ FBP1 P09467 2/20 0.49
▸ EGFR P00533 1/20 0.49
▸ HPGD P15428 1/20 0.47
▸ APP P05067 2/20 0.46
▸ CYP19A1 P11511 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ HKDC1 Q2TB90 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
SCHEMBL14988862 0.84 MAPT (0.56) SLC2A1RAB9AKMT2ANPC1MEN1
SCHEMBL14988861 0.84 MAPT (0.56) SLC2A1RAB9AKMT2ANPC1MEN1
SCHEMBL6214564 0.83 PTGS2 (0.76) PTGS2PTGS1RAB9AKMT2ANPC1
SCHEMBL2828903 0.83 PTGS2 (0.76) PTGS2PTGS1RAB9AKMT2ANPC1
Potassium Ion SCHEMBL9750508 0.81 PTGS2 (0.73) PTGS2PTGS1RAB9AKMT2ANPC1
SCHEMBL9750505 0.81 PTGS2 (0.73) PTGS2PTGS1RAB9AKMT2ANPC1
SCHEMBL9750506 0.81 PTGS2 (0.73) PTGS2PTGS1RAB9AKMT2ANPC1
SCHEMBL28404135 0.79 POLB (0.52) SLC2A1PTGS2RAB9AKMT2ANPC1
SCHEMBL28404138 0.79 POLB (0.52) SLC2A1PTGS2RAB9AKMT2ANPC1
SCHEMBL9380814 0.78 NPC1 (0.54) SLC2A1PTGS2PTGS1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221514-A1 NITROXIDE CONTAINING AMYLOID BINDING AGENTS FOR IMAGING AND THERAPEUTIC USES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-09 — — 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 (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-20180221514-A1 NITROXIDE CONTAINING AMYLOID BINDING AGENTS FOR IMAGING AND THERAPEUTIC USES APP, APBA1, CRYAB SLC2A1 696/4885PTGS2 1327/4885PTGS1 1331/4885

“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.

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