SCHEMBL18321960

SCHEMBL18321960

CNc1c(C)cc(Br)c(F)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ GRIN2D O15399 4/20 0.34
▸ GRIN3B O60391 4/20 0.34
▸ GRIN1 Q05586 4/20 0.34
▸ GRIN2A Q12879 4/20 0.34
▸ GRIN2B Q13224 4/20 0.34
▸ GRIN2C Q14957 4/20 0.34
▸ GRIN3A Q8TCU5 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ LMNA P02545 3/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ POLB P06746 2/20 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
SCHEMBL26618744 0.83 GRIN2D (0.45) ALDH1A1TDP1CYP1A2GRIN2DGRIN3B
SCHEMBL18322060 0.82 MAPT (0.40) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL31129475 0.79 SMN1; SMN2 (0.34) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL203696 0.77 ALDH1A1 (0.41) ALDH1A1TDP1CYP1A2GRIN2DGRIN3B
SCHEMBL21412120 0.73 LMNA (0.39) ALDH1A1TDP1CYP1A2SMN1; SMN2MAPT
SCHEMBL29207333 0.73 MAPT (0.40) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27162785 0.71 MAPT (0.39) ALDH1A1TDP1CYP1A2GRIN2DGRIN3B
SCHEMBL31257424 0.71 CYP1A2 (0.41) ALDH1A1TDP1CYP1A2GRIN2DGRIN3B
SCHEMBL19776329 0.71 PGK1 (0.40) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26922015 0.71 GAA (0.41) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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
EP-3766878-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-03-16 — — EP disclosed
EP-3766878-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-01-20 — — EP disclosed
EP-3307729-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-09-02 — — EP disclosed
US-20190224212-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-07-25 — — US disclosed
US-20190224212-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-07-25 — — US disclosed
US-10272095-B2 NRF2 regulators GlaxoSmithKline Intellectual Propert Development Limited (GB) 2019-04-30 — — US disclosed
US-10272095-B2 NRF2 regulators GlaxoSmithKline Intellectual Propert Development Limited (GB) 2019-04-30 — — US disclosed
US-20180169110-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-21 — — US disclosed
WO-2018104766-A1 3-(2,3-DIHYDRO-1H-INDEN-5-YL)PROPANOIC ACID DERIVATIVES AND THEIR USE AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-14 — — WO disclosed
EP-3307729-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-18 — — EP disclosed
WO-2016203401-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 — — 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 (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-10272095-B2 NRF2 regulators NFE2L2, KEAP1, NQO1 ALDH1A1 621/4885TDP1 4360/4885CYP1A2 465/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ALDH1A1 621/4885TDP1 4360/4885CYP1A2 465/4885
US-20180169110-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ALDH1A1 621/4885TDP1 4360/4885CYP1A2 465/4885

“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.

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