SCHEMBL3328397

SCHEMBL3328397

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.55
MAPT P10636 11/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 2/20 0.53
MCL1 Q07820 1/20 0.53
ALDH1A1 P00352 13/20 0.44
KDM4E B2RXH2 7/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL880161 0.83 SRC (0.60) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL13347464 0.81 SRC (0.57) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL668092 0.81 SRC (0.66) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL29628001 0.81 SRC (0.66) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL31490482 0.81 SRC (0.57) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL24185740 0.81 SRC (0.57) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL125665 0.81 SRC (0.51) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL22927432 0.78 SRC (0.55) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL14782111 0.77 SRC (0.48) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL718255 0.77 MAPT (0.74) SRCMAPTMEN1KMT2AL3MBTL1

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-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-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-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 (4 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 2596/4885MEN1 2779/4885
US-20080009630-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885MAPT 2596/4885MEN1 2779/4885
US-20060122408-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885MAPT 2596/4885MEN1 2779/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885MAPT 2596/4885MEN1 2779/4885

“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.