SCHEMBL2250779

SCHEMBL2250779

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nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL2250788 1.00 TDP1 (0.33) TDP1EYA2APPACECYP2C19
SCHEMBL3290225 0.89 BHMT (0.37) TDP1EYA2APPACEALOX15
SCHEMBL3290209 0.89 BHMT (0.37) TDP1EYA2APPACEALOX15
SCHEMBL9889117 0.84 RNPEP (0.33) TDP1EYA2APPACECYP2C19
SCHEMBL5590884 0.81 CYP2D6 (0.42) TDP1EYA2APPACECYP2C19
SCHEMBL13090504 0.77
SCHEMBL22313 0.76 TDP1 (0.42) TDP1EYA2APPACECYP2C19
SCHEMBL1707477 0.76 TDP1 (0.42) TDP1EYA2APPACECYP2C19
SCHEMBL652071 0.76 TDP1 (0.36) TDP1EYA2APPACECYP2C19
SCHEMBL652072 0.76 TDP1 (0.36) TDP1EYA2APPACECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7988858-B2 Method for generating metal chelating affinity ligands GE HEALTHCARE BIO-SCIENCES AB (SE) 2011-08-02 US disclosed
US-7709612-B2 Metal chelating compositions for protein purification, detection or binding SIGMA-ALDRICH CO. (US) 2010-05-04 US disclosed
US-20090200239-A1 METHOD FOR GENERATING METAL CHELATING AFFINITY LIGANDS GE HEALTHCARE BIO-SCIENCES AB (SE) 2009-08-13 US disclosed
EP-1276716-B2 METAL CHELATING COMPOSITIONS SIGMA ALDRICH CO (US) 2008-10-01 EP disclosed
US-7175767-B2 Preparation of a metal chelating separation medium GE HEALTHCARE BIO-SCIENCES AB (SE) 2007-02-13 US disclosed
US-20060199950-A1 Preparation of a metal chelating separation medium GE HEALTHCARE BIO-SCIENCES AB (SE) 2006-09-07 US disclosed
US-20060148090-A1 Metal chelating compositions for protein purification, detection or binding SIGMA-ALDRICH CO. (US) 2006-07-06 US disclosed
US-7033520-B2 Metal chelating compositions for protein purification, detection or binding SIGMA-ALDRICH CO. (US) 2006-04-25 US disclosed
EP-1627683-A2 Metal chelating compositions Sigma Aldrich Company (US) 2006-02-22 EP disclosed
EP-1276716-B1 METAL CHELATING COMPOSITIONS SIGMA ALDRICH CO (US) 2005-06-22 EP disclosed
US-20040092031-A1 Metal chelating compositions for protein purification, detection or binding SIGMA - ALDRICH CO. 2004-05-13 US disclosed
US-6623655-B1 Nitrilotriacetic acid derivatives; improved specificity and stability; protein purification, detection and/or binding SIGMA-ALDRICH CO. 2003-09-23 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 (2 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-20090200239-A1 METHOD FOR GENERATING METAL CHELATING AFFINITY LIGANDS SPR, SPEN, TIMCC TDP1 4850/4885EYA2 3839/4885APP 1595/4885
US-20060199950-A1 Preparation of a metal chelating separation medium CA1, CA3, CA12 TDP1 4195/4885EYA2 3071/4885APP 2548/4885

“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.