SCHEMBL6313741

SCHEMBL6313741

O=c1[nH]c2[c]cccc2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.52
GRIN3B O60391 7/20 0.52
GRIN1 Q05586 7/20 0.52
GRIN2A Q12879 7/20 0.52
GRIN2B Q13224 7/20 0.52
GRIN2C Q14957 7/20 0.52
GRIN3A Q8TCU5 7/20 0.52
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 3/20 0.39
PARP1 P09874 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TNKS O95271 1/20 0.39
GPR3 P46089 1/20 0.39
PARP15 Q460N3 1/20 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
SCHEMBL790633 0.83 KDM4E (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29495630 0.70 KDM4E (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL239920 0.70 KDM4E (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15009544 0.68 ALDH1A1 (0.61) KDM4EALDH1A1PARP1MEN1LMNA
SCHEMBL38236 0.67 KDM4E (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16110565 0.67 PARP1 (0.48) KDM4EALDH1A1PARP1MEN1LMNA
SCHEMBL3281338 0.66 PLAUR (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12004982 0.65 ALOX5 (0.45) KDM4EALDH1A1PARP1MEN1LMNA
SCHEMBL3015544 0.65 ALOX5 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5030 0.65 ALDH1A1 (0.54) GRIN1GRIN2AGRIN2BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187193-A1 Reducing plasma levels of apo B and LDL cholesterol and in decreasing plasma total cholesterol; restenosis following angioplasty; atherosclerosis, hypercholesterolemia; use with other drugs such as statins; e.g. diethyl alpha-(3,5-dimethoxy-4-hydroxyphenyl)-beta-(N-(3-pyridyl)-amino)-vinylphosphonate ILEX PRODUCTS, INC. 2005-08-25 US disclosed
US-20030114421-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives PHAN HIEU TRUNG (CH) 2003-06-19 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 (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-20030114421-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 GRIN2D 4407/4885GRIN3B 2601/4885GRIN1 3481/4885
US-20050187193-A1 Reducing plasma levels of apo B and LDL cholesterol and in decreasing plasma total cholesterol; restenosis following angioplasty; atherosclerosis, hypercholesterolemia; use with other drugs such as statins; e.g. diethyl alpha-(3,5-dimethoxy-4-hydroxyphenyl)-beta-(N-(3-pyridyl)-amino)-vinylphosphonate APOB, LDLR, HDLBP GRIN2D 4236/4885GRIN3B 2251/4885GRIN1 2835/4885

“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.