SCHEMBL3364326

SCHEMBL3364326

O=[N+]([O-])c1cc2c(cc1COCCl)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
POLB P06746 1/20 0.51
MCL1 Q07820 1/20 0.51
ALDH1A1 P00352 6/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SRC P12931 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL18173523 0.81 MAPT (0.54) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL155769 0.81 ALDH1A1 (0.55) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL155768 0.81 MAPT (0.54) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL24534294 0.81 MAPT (0.48) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL29680783 0.81 MAPT (0.48) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL3121631 0.81 MEN1 (0.48) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL3361206 0.81 MAPT (0.50) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL10858330 0.80 MAPT (0.56) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL9061372 0.79 KMT2A (0.49) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL496226 0.79 MAPT (0.51) MAPTMEN1KMT2AL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835125-B2 Methods and compositions for selective labeling of different biotinylated targets within multicolor or multilabel assays AFFYMETRIX, INC. (US) 2014-09-16 US disclosed
US-20120226027-A1 Methods and Compositions for Selective Labeling of Different Biotinylated Targets within Multicolor or Multilabel Assays AFFYMETRIX, INC. (US) 2012-09-06 US disclosed
US-8247540-B2 Caged nucleotides and oligonucleotides and their application DEITERS ALEXANDER (US) 2012-08-21 US disclosed
US-20100099159-A1 CAGED NUCLEOTIDES AND OLIGONUCLEOTIDES AND THEIR APPLICATION DEITERS ALEXANDER 2010-04-22 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-20100099159-A1 CAGED NUCLEOTIDES AND OLIGONUCLEOTIDES AND THEIR APPLICATION RNGTT, NT5C3B, ADAR MAPT 3889/4885MEN1 3067/4885KMT2A 3379/4885

“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.