SCHEMBL3359449

SCHEMBL3359449

Nc1ccccc1OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
RECQL P46063 1/20 0.51
MAOB P27338 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 7/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
CCR5 P51681 1/20 0.47
PIN1 Q13526 1/20 0.46
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL10789091 0.87 NPC1 (0.68) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL10679738 0.82 NPC1 (0.59) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL7598113 0.81 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL5594953 0.81 MAOB (0.55) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL21545836 0.80 KMT2A (0.59) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL5483975 0.79 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL881475 0.77 NPC1 (0.73) NPC1RAB9ARECQLKMT2AALDH1A1
SCHEMBL3125878 0.77 MAOB (0.68) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL1520430 0.76 ALDH1A1 (0.58) NPC1RAB9ARECQLMAOBALDH1A1
SCHEMBL6221394 0.76 NPC1 (0.66) NPC1RAB9ARECQLKMT2AALDH1A1

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 HTR1A 2299/4885ADRA1D 4810/4885ADRA1A 4583/4885
US-20080009630-A1 Photogenerated reagents PPOX, PGR, GRHPR HTR1A 2299/4885ADRA1D 4810/4885ADRA1A 4583/4885
US-20060122408-A1 Photogenerated reagents PPOX, PGR, GRHPR HTR1A 2299/4885ADRA1D 4810/4885ADRA1A 4583/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR HTR1A 2299/4885ADRA1D 4810/4885ADRA1A 4583/4885

“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.