SCHEMBL18768802

SCHEMBL18768802

Cc1cnc(C)n(O)c1=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.32
ATM Q13315 1/20 0.32
FEN1 P39748 3/20 0.31
ERCC5 P28715 2/20 0.31
DAO P14920 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 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
SCHEMBL13216909 0.74 ALDH1A1 (0.34) MAPK1ATMALDH1A1LMNATHRB
SCHEMBL13854014 0.70
SCHEMBL25606172 0.70 CDC25A (0.35) ALDH1A1LMNA
SCHEMBL10487046 0.64 MAPK1 (0.58) MAPK1ATMALDH1A1LMNATHRB
SCHEMBL23046254 0.62 HPGD (0.36) MAPK1ATMALDH1A1LMNATHRB
SCHEMBL15739584 0.62 HAAO (0.47) FEN1ERCC5DAOALDH1A1LMNA
SCHEMBL31136330 0.62 TNKS (0.33) ALDH1A1
SCHEMBL2714078 0.60 FEN1 (0.39) FEN1ERCC5ALDH1A1
SCHEMBL25604490 0.60 KDM5A (0.37) ALDH1A1LMNA
SCHEMBL27295267 0.60 KAT2B (0.34) MAPK1ALDH1A1LMNATSHR

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-20170106106-A1 MULTIDENTATE BIFUNCTIONAL CHELATING AGENTS FOR RADIONUCLIDE COMPLEXATION IN DIAGNOSTICS AND THERAPY UNIVERSITAT ZURICH (CH) 2017-04-20 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-20170106106-A1 MULTIDENTATE BIFUNCTIONAL CHELATING AGENTS FOR RADIONUCLIDE COMPLEXATION IN DIAGNOSTICS AND THERAPY AOC1, XDH, FOLR1 MAPK1 4237/4885ATM 3745/4885FEN1 1269/4885

“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.