SCHEMBL3325844

SCHEMBL3325844

CC(CO)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.57
MAPT P10636 7/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
MCL1 Q07820 1/20 0.51
ALDH1A1 P00352 9/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
GAA P10253 2/20 0.41
MET P08581 1/20 0.41
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL668092 0.83 SRC (0.66) SRCMAPTL3MBTL1MEN1KMT2A
SCHEMBL29628001 0.83 SRC (0.66) SRCMAPTL3MBTL1MEN1KMT2A
SCHEMBL880161 0.82 SRC (0.60) SRCMAPTL3MBTL1MEN1KMT2A
SCHEMBL3759745 0.82 SRC (0.51) SRCMAPTL3MBTL1MEN1KMT2A
SCHEMBL3759748 0.81 SRC (0.50) SRCMAPTL3MBTL1MEN1KMT2A
SCHEMBL3759750 0.81 SRC (0.50) SRCMAPTL3MBTL1MEN1KMT2A
SCHEMBL12050503 0.81 ALDH1A1 (0.53) SRCMAPTL3MBTL1MEN1KMT2A
SCHEMBL12050506 0.80 SRC (0.49) SRCMAPTL3MBTL1MEN1KMT2A
SCHEMBL24185740 0.80 SRC (0.57) SRCMAPTL3MBTL1MEN1KMT2A
SCHEMBL13347464 0.80 SRC (0.57) SRCMAPTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123486-A1 Photogenerated reagents GAO XIAOLIAN (US) 2013-05-16 US disclosed
US-20130123486-A1 Photogenerated reagents GAO XIAOLIAN (US) 2013-05-16 US disclosed
US-20130123486-A1 Photogenerated reagents GAO XIAOLIAN (US) 2013-05-16 US disclosed
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 US disclosed
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 US disclosed
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 US disclosed
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2011-02-03 US disclosed
US-20100324266-A1 Photocleavable Protecting Groups AFFYMETRIX, INC. (US) 2010-12-23 US disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US disclosed
US-7544829-B2 Photogenerated reagents LC SCIENCES LC 2009-06-09 US disclosed
US-7544829-B2 Photogenerated reagents LC SCIENCES LC 2009-06-09 US disclosed
US-20080009630-A1 Photogenerated reagents LC SCIENCES LC 2008-01-10 US disclosed
US-20080009630-A1 Photogenerated reagents LC SCIENCES LC 2008-01-10 US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 US disclosed
US-20060122408-A1 Photogenerated reagents LC SCIENCES LC 2006-06-08 US disclosed
US-6965040-B1 Photogenerated reagents Gao, Xiaolian (US) 2005-11-15 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 (6 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-20130123486-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885MAPT 2596/4885L3MBTL1 4602/4885
US-20080009630-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885MAPT 2596/4885L3MBTL1 4602/4885
US-20100324266-A1 Photocleavable Protecting Groups POLL, PCNA, ERCC4 SRC 3929/4885MAPT 2839/4885L3MBTL1 399/4885
US-20060122408-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885MAPT 2596/4885L3MBTL1 4602/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885MAPT 2596/4885L3MBTL1 4602/4885
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, ERCC5, FBL SRC 3955/4885MAPT 2833/4885L3MBTL1 727/4885

“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.