SCHEMBL6077684

SCHEMBL6077684

CO/N=C/c1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
NFE2L2 Q16236 5/20 0.44
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
AMY1A P0DUB6 1/20 0.40
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SRC P12931 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL6077689 1.00 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13128154 0.85 NFE2L2 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13292607 0.83 NFE2L2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12365170 0.82 ABL1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5119309 0.81 AMY1A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15016063 0.81 AMY1A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15016064 0.81 AMY1A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6448341 0.81 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6448339 0.81 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5119308 0.81 AMY1A (0.38) 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
US-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
US-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 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 (3 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF GRIN2D 4555/4885GRIN3B 3745/4885GRIN1 3120/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 GRIN2D 4199/4885GRIN3B 4028/4885GRIN1 2727/4885
US-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 GRIN2D 4228/4885GRIN3B 2600/4885GRIN1 3879/4885

“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.