SCHEMBL16831995

SCHEMBL16831995

COC(=O)C=Cc1ccc(C#N)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TTR P02766 1/20 0.41
APP P05067 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TYR P14679 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL29550418 1.00 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL16831994 1.00 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL16971076 0.88 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL13262820 0.86 ESR1 (0.54) TTRCA12CA1CA2CA7
SCHEMBL28927806 0.85 CA12 (0.44) MAPTKDM4ECA12CA1CA2
SCHEMBL16832177 0.84 APP (0.50) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6072062 0.84 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6072059 0.84 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL16831642 0.84 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL28647046 0.84 MAPT (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1

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 19 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-3555088-B1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-11-24 EP disclosed
US-11078216-B2 Bisaryl amides as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-03 US 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-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-10-31 US disclosed
EP-3555088-A1 BISARYL AMIDES AS NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-23 EP 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-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-10144731-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 US disclosed
US-20180169110-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
WO-2018109647-A1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO 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
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
EP-3083614-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-10-26 EP disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 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 (8 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-11078216-B2 Bisaryl amides as NRF2 activators NFE2L2, KEAP1, NQO1 ALDH1A1 584/4885MAPT 2275/4885KDM4E 2598/4885
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 ALDH1A1 584/4885MAPT 2275/4885KDM4E 2598/4885
US-10272095-B2 NRF2 regulators NFE2L2, KEAP1, NQO1 ALDH1A1 621/4885MAPT 2064/4885KDM4E 1750/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ALDH1A1 621/4885MAPT 2064/4885KDM4E 1750/4885
US-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 ALDH1A1 799/4885MAPT 1861/4885KDM4E 1805/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 ALDH1A1 799/4885MAPT 1861/4885KDM4E 1805/4885
US-20180169110-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ALDH1A1 621/4885MAPT 2064/4885KDM4E 1750/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 ALDH1A1 799/4885MAPT 1861/4885KDM4E 1805/4885

“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.