SCHEMBL7219075

SCHEMBL7219075

CCOC(=O)Cc1ccccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.55
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.49
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL30676655 0.86 NLRP3 (0.48) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL23218359 0.86 NLRP3 (0.48) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL5568979 0.85 NLRP3 (0.47) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL7358763 0.84 ALDH1A1 (0.56) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL26661046 0.84 CYP4F2 (0.63) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL1558841 0.83 ALDH1A1 (0.51) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL68340 0.82 PKM (0.60) NLRP3ALDH1A1L3MBTL1PKMCYP4F2
SCHEMBL3162041 0.82 NLRP3 (0.56) NLRP3ALDH1A1GAAL3MBTL1MAPT
SCHEMBL4579114 0.81 PKM (0.49) NLRP3ALDH1A1L3MBTL1MAPTPKM
SCHEMBL29853048 0.80 NLRP3 (0.44) NLRP3ALDH1A1GAAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160217-A Preparation method of Perampanel, synthetic intermediate and preparation method of degradation impurities 山东达因海洋生物制药股份有限公司 2022-10-11 CN disclosed
EP-3307739-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
CN-110028442-B Simple preparation method of Perampanel 新发药业有限公司 2020-07-17 CN disclosed
US-10604509-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-31 US disclosed
US-20200071310-A1 N-ARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-05 US disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
US-6586167-B2 Color forming dye image shows an absorbance for ultraviolet region higher than that for visible region and has a transmission density of 0.3 or more for the region of 360-450 nm. FUJI PHOTO FILM CO., LTD. (JP) 2003-07-01 US disclosed
US-20020039708-A1 Method for thermally forming image for plate making and thermally processed image recording material for plate making FUJI PHOTO FILM CO., LTD. 2002-04-04 US disclosed
EP-0993626-A1 PHOTOTHERMOGRAPHIC ELEMENT WITH IRIDIUM AND COPPER DOPED SILVER HALIDE GRAINS EASTMAN KODAK COMPANY (US) 2000-04-19 EP disclosed
EP-0974073-A2 CHEMICAL SENSITIZATION OF PHOTOTHERMOGRAPHIC SILVER HALIDE EMULSIONS EASTMAN KODAK COMPANY (US) 2000-01-26 EP disclosed
WO-1998059279-A1 PHOTOTHERMOGRAPHIC ELEMENT WITH IRIDIUM AND COPPER DOPED SILVER HALIDE GRAINS EASTMAN KODAK COMPANY (US) 1998-12-30 WO disclosed
WO-1998045754-A2 CHEMICAL SENSITIZATION OF PHOTOTHERMOGRAPHIC SILVER HALIDE EMULSIONS EASTMAN KODAK COMPANY (US) 1998-10-15 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 (4 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-20180179187-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 NLRP3 2015/4885ALDH1A1 609/4885GAA 2261/4885
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 NLRP3 1404/4885ALDH1A1 372/4885GAA 2920/4885
US-10604509-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 NLRP3 2015/4885ALDH1A1 609/4885GAA 2261/4885
US-20200071310-A1 N-ARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, NQO1, KEAP1 NLRP3 979/4885ALDH1A1 339/4885GAA 2670/4885

“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.