SCHEMBL2779313

SCHEMBL2779313

O=[N+]([O-])c1ccccc1Nc1ccc2c(c1)OCCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CASP7 P55210 1/20 0.56
MAPT P10636 8/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
PKM P14618 2/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 9/20 0.50
NPC1 O15118 8/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
BAZ1A Q9NRL2 1/20 0.50
EPAS1 Q99814 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL2781010 0.92 RAB9A (0.59) SMN1; SMN2ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL6654157 0.85 MAPT (0.53) SMN1; SMN2ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL11506844 0.78 ALDH1A1 (0.89) SMN1; SMN2ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL7167600 0.77 TDP1 (0.79) SMN1; SMN2ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL26468007 0.76 TDP1 (0.77) SMN1; SMN2ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL4226941 0.75 MAPK14 (0.68)
SCHEMBL4178050 0.75 KMT2A (0.51) SMN1; SMN2ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL4170935 0.75 TUBB4A (0.57) SMN1; SMN2ALDH1A1MAPK1MAPTMEN1
SCHEMBL2783079 0.75 MAPK14 (0.54) SMN1; SMN2ALDH1A1TDP1MAPTMEN1
SCHEMBL497083 0.75 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1MAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648075-B2 Substituted pyrido[2,3-b]pyrazines and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 US disclosed
US-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-05-30 US disclosed
US-8389523-B2 Substituted quinoxaline and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2013-03-05 US disclosed
EP-2174934-B1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2012-06-06 EP disclosed
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-05 US disclosed
EP-2174934-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-14 EP 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 (2 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-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT SMN1; SMN2 3580/4885ALDH1A1 1180/4885MAPK1 2331/4885
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT SMN1; SMN2 3580/4885ALDH1A1 1180/4885MAPK1 2331/4885

“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.