SCHEMBL3359452

SCHEMBL3359452

O=[N+]([O-])c1ccccc1CONc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 2/20 0.47
CASP7 P55210 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 1/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH3A1 P30838 1/20 0.43
KDM1A O60341 1/20 0.43
POLB P06746 1/20 0.42
KDM4A O75164 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41

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
SCHEMBL10518545 0.80 ALDH1A1 (0.53) ALDH1A1HTTTSHRL3MBTL1HPGD
SCHEMBL7721097 0.79 MAOB (0.51) ALDH1A1HTTTSHRL3MBTL1MAOB
SCHEMBL77922 0.77 ALDH1A1 (0.62) ALDH1A1HTTTSHRL3MBTL1MAPK1
SCHEMBL1058875 0.76 MAPT (0.51) ALDH1A1HTTTSHRTDP1MAOB
SCHEMBL21545834 0.76 NPC1 (0.59) ALDH1A1HTTL3MBTL1TDP1HPGD
SCHEMBL28424497 0.75 ALDH1A1 (0.48) ALDH1A1HTTTSHRL3MBTL1MAPK1
SCHEMBL3125878 0.75 MAOB (0.68) ALDH1A1HTTTSHRHPGDMAOB
SCHEMBL29546539 0.75 ALDH3A1 (0.66) ALDH1A1HTTTSHRL3MBTL1MAPK1
SCHEMBL11745238 0.75 ALDH3A1 (0.66) ALDH1A1HTTTSHRL3MBTL1MAPK1
SCHEMBL10961899 0.74 PTPRF (0.59) ALDH1A1L3MBTL1HPGDMAOBMAPT

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 8 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-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-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-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 ALDH1A1 1813/4885HTT 1804/4885TSHR 446/4885
US-20080009630-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885HTT 1804/4885TSHR 446/4885
US-20060122408-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885HTT 1804/4885TSHR 446/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885HTT 1804/4885TSHR 446/4885

“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.