SCHEMBL3921886

SCHEMBL3921886

C/C(=N\c1ccc([N+](=O)[O-])cc1C)c1cccc(/C(C)=N/c2ccc([N+](=O)[O-])cc2C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.51
GRIN3B O60391 3/20 0.51
GRIN1 Q05586 3/20 0.51
GRIN2A Q12879 3/20 0.51
GRIN2B Q13224 3/20 0.51
GRIN2C Q14957 3/20 0.51
GRIN3A Q8TCU5 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
ALDH1A1 P00352 7/20 0.45
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 3/20 0.43
ACHE P22303 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
SORT1 Q99523 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL3921890 1.00 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL3924753 0.97 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL3924751 0.97 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8085062 0.84 MAPT (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8085056 0.84 MAPT (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8094742 0.83 ALDH1A1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8094745 0.83 ALDH1A1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8083149 0.83 MAPT (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8083153 0.83 MAPT (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19887498 0.82 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019187831-A1 METHOD FOR PRODUCING WAX ISOMERIZED OIL JXTGエネルギー株式会社 2019-10-03 WO disclosed
WO-2019189448-A1 WAX ISOMERIZED OIL JXTGエネルギー株式会社 2019-10-03 WO disclosed
WO-2019189446-A1 WAX ISOMERIZED OIL AND METHOD FOR PRODUCING SAME JXTGエネルギー株式会社 2019-10-03 WO disclosed
WO-2019187830-A1 METHOD FOR PRODUCING WAX ISOMERIZED OIL JXTGエネルギー株式会社 2019-10-03 WO disclosed
US-20180051103-A1 OLIGOMER PRODUCTION METHOD AND CATALYST JXTG NIPPON OIL & ENERGY CORPORATION (JP) 2018-02-22 US disclosed
US-20180051103-A1 OLIGOMER PRODUCTION METHOD AND CATALYST JXTG NIPPON OIL & ENERGY CORPORATION (JP) 2018-02-22 US disclosed
EP-1919850-B1 NITRO SUBSTITUTED ALPHA-OLEFIN SYNTHESIS CATALYSTS DU PONT (US) 2009-03-18 EP disclosed
US-20080194768-A1 Nitro substituted alpha -olefin synthesis catalysts E. I. DU PONT DE NEMOURS AND COMPANY 2008-08-14 US disclosed
US-20080194768-A1 Nitro substituted alpha -olefin synthesis catalysts E. I. DU PONT DE NEMOURS AND COMPANY 2008-08-14 US disclosed
EP-1919850-A2 NITRO SUBSTITUTED ALPHA-OLEFIN SYNTHESIS CATALYSTS E.I.Du pont de nemours and company (US) 2008-05-14 EP disclosed
WO-2007021955-A2 NITRO SUBSTITUTED α-OLEFIN SYNTHESIS CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-22 WO 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-20180051103-A1 OLIGOMER PRODUCTION METHOD AND CATALYST OR51E2, NOD2, MSMO1 GRIN2D 1095/4885GRIN3B 953/4885GRIN1 1248/4885
US-20080194768-A1 Nitro substituted alpha -olefin synthesis catalysts ETFA, CBR1, ETFB GRIN2D 1219/4885GRIN3B 2066/4885GRIN1 1998/4885

“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.