SCHEMBL20475321

SCHEMBL20475321

CCOC(=O)CC(C[N+](=O)[O-])c1cc(F)cc(I)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 4/20 0.37
ALDH1A1 P00352 5/20 0.33
F10 P00742 4/20 0.32
F2 P00734 4/20 0.32
PRSS1 P07477 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.30
FBP1 P09467 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MITF O75030 1/20 0.30

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
SCHEMBL20475329 0.91 MAPT (0.41) MAPTKDM4ELMNAALDH1A1F10
SCHEMBL20475355 0.85 MAPT (0.39) MAPTKDM4ELMNAALDH1A1F10
SCHEMBL15548874 0.83 MAPT (0.40) MAPTKDM4ELMNAALDH1A1F10
SCHEMBL20475270 0.82 F10 (0.43) MAPTKDM4ELMNAALDH1A1F10
SCHEMBL1269119 0.82 F10 (0.43) MAPTKDM4ELMNAALDH1A1F10
SCHEMBL1269176 0.81 MAPT (0.46) MAPTKDM4ELMNAALDH1A1F10
SCHEMBL20475361 0.81 MAPT (0.46) MAPTKDM4ELMNAALDH1A1F10
SCHEMBL20475336 0.80 KDM4E (0.41) MAPTKDM4ELMNAALDH1A1F10
SCHEMBL18640911 0.78 ALDH1A1 (0.38) MAPTKDM4ELMNAALDH1A1F10
SCHEMBL20475388 0.78 KDM4E (0.44) MAPTKDM4ELMNAALDH1A1F10

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-11518754-B2 Radiolabeled pharmaceuticals and methods of making and using same YALE UNIVERSITY (US) 2022-12-06 US disclosed
WO-2018152339-A1 RADIOLABELED PHARMACEUTICALS AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2018-08-23 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-11518754-B2 Radiolabeled pharmaceuticals and methods of making and using same SLC18A2, SLC18A3, SLC1A2 MAPT 200/4885KDM4E 1686/4885LMNA 4277/4885

“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.