SCHEMBL21791998

SCHEMBL21791998

COc1ccc(COC2CCc3ccc(C(O)c4ccc5c(c4)nnn5I)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
LMNA P02545 2/20 0.33
NQO1 P15559 1/20 0.32
CYP26A1 O43174 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TACR1 P25103 1/20 0.32
GRIN2D O15399 4/20 0.31
GRIN3B O60391 4/20 0.31
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31
GRIN2B Q13224 4/20 0.31
GRIN2C Q14957 4/20 0.31
GRIN3A Q8TCU5 4/20 0.31
MAPT P10636 1/20 0.31
KCNH2 Q12809 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31

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
SCHEMBL20952602 0.90 NQO1 (0.37) BRD4NQO1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL21791996 0.86 LMNA (0.34) BRD4LMNANQO1CYP26A1SMN1; SMN2
SCHEMBL18322046 0.80 NQO1 (0.48) NQO1
SCHEMBL23634123 0.77 CA1 (0.38) SMN1; SMN2MAPT
SCHEMBL28620218 0.71 CYP26A1 (0.43) BRD4CYP26A1MAPTCYP24A1DRD2
SCHEMBL18322178 0.70 BRD4 (0.38) BRD4CYP26A1GRIN2DGRIN3BGRIN1
SCHEMBL18322087 0.70 NQO1 (0.49) NQO1
SCHEMBL18321982 0.69 FFAR1 (0.41) BRD4CYP26A1CYP24A1
SCHEMBL20241215 0.69 BRD4 (0.43) BRD4CYP26A1MAPTPDE1BL3MBTL1
SCHEMBL20952649 0.69 CYP26A1 (0.37) BRD4CYP26A1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002272-A1 BISARYL LACTAMS AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2022-01-06 US disclosed
US-11059816-B2 Ether linked triazoles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-13 US disclosed
US-20200071317-A1 ETHER LINKED TRIAZOLES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-03-05 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 (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-11059816-B2 Ether linked triazoles as NRF2 activators NFE2L2, KEAP1, NQO1 BRD4 509/4885LMNA 2478/4885NQO1 3/4885
US-20200071317-A1 ETHER LINKED TRIAZOLES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 BRD4 509/4885LMNA 2478/4885NQO1 3/4885
US-20220002272-A1 BISARYL LACTAMS AS NRF2 ACTIVATORS KEAP1, NFE2L2, NQO1 BRD4 547/4885LMNA 2169/4885NQO1 3/4885

“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.