SCHEMBL18322211

SCHEMBL18322211

CCn1nnc(CCC(c2ccc3c(c2)C(OCc2ccc(OC)cc2)CC3)C(C)(C)C(=O)OC)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.48
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.32
KCNA5 P22460 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
BRD4 O60885 1/20 0.31
MTNR1B P49286 6/20 0.31
MTNR1A P48039 5/20 0.31
NQO2 P16083 4/20 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
SCHEMBL18321974 0.93 NQO1 (0.55) NQO1KDM4EALDH1A1HPGDMAPK1
SCHEMBL18322126 0.85 NQO1 (0.54) NQO1KDM4EALDH1A1HPGDMAPK1
SCHEMBL18322207 0.84 GCGR (0.34) NQO1MTNR1BMTNR1ANQO2
SCHEMBL18322065 0.84 MTNR1A (0.36) ALDH1A1MTNR1BMTNR1ANQO2
SCHEMBL18321967 0.83 MTNR1A (0.37) ALDH1A1MTNR1BMTNR1ANQO2
SCHEMBL18322132 0.82 NQO1 (0.50) NQO1MTNR1BMTNR1ANQO2
SCHEMBL18322167 0.81 NQO1 (0.32) NQO1KCNA5BRD4MTNR1BMTNR1A
SCHEMBL18322098 0.80 NAAA (0.36) ALDH1A1MTNR1BMTNR1ANQO2
SCHEMBL18321950 0.80 CACNA1B (0.37) ALDH1A1MTNR1BMTNR1ANQO2
SCHEMBL18321972 0.80 FFAR1 (0.40) KMT2AMTNR1BMTNR1ANQO2

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 12 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
CN-108137557-B Nrf2 modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-09-07 CN 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 NQO1 3/4885KDM4E 1750/4885ALDH1A1 621/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 NQO1 3/4885KDM4E 1750/4885ALDH1A1 621/4885
US-20180169110-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 NQO1 3/4885KDM4E 1750/4885ALDH1A1 621/4885

“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.