SCHEMBL4943495

SCHEMBL4943495

Nc1c(-c2cccc3ccccc23)ccc(-c2cccc3ccccc23)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
KEAP1 Q14145 2/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 2/20 0.52
CYP3A4 P08684 1/20 0.52
DHFR P00374 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CYP2A6 P11509 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
ALOX15 P16050 1/20 0.42
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALPL P05186 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
SCHEMBL5028458 0.93 ALDH1A1 (0.54) ALDH1A1HSD17B10KEAP1TSHRHPGD
SCHEMBL24432943 0.91 ALDH1A1 (0.48) ALDH1A1HSD17B10KEAP1TSHRHPGD
SCHEMBL30843336 0.91 ALDH1A1 (0.48) ALDH1A1HSD17B10KEAP1TSHRHPGD
SCHEMBL31656349 0.90 CA12 (0.45) ALDH1A1HSD17B10KEAP1TSHRHPGD
SCHEMBL28596645 0.90 CA12 (0.45) ALDH1A1HSD17B10KEAP1TSHRHPGD
SCHEMBL28613236 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10KEAP1TSHRHPGD
SCHEMBL29177952 0.88 CA12 (0.44) ALDH1A1HSD17B10KEAP1TSHRHPGD
SCHEMBL6077039 0.87 ALDH1A1 (0.56) ALDH1A1HSD17B10KEAP1TSHRHPGD
SCHEMBL1225129 0.86 ALDH1A1 (0.60) ALDH1A1HSD17B10KEAP1TSHRHPGD
SCHEMBL28692558 0.86 HPRT1 (0.54) ALDH1A1HSD17B10KEAP1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283052-B2 Quinoxaline derivative excellent in electron-transporting property and very effective as an electron-transporting material in a light-emitting element and the like SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-09 US disclosed
US-8283052-B2 Quinoxaline derivative excellent in electron-transporting property and very effective as an electron-transporting material in a light-emitting element and the like SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-09 US disclosed
US-8283052-B2 Quinoxaline derivative excellent in electron-transporting property and very effective as an electron-transporting material in a light-emitting element and the like SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-09 US disclosed
US-20080193794-A1 Quinoxaline Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-08-14 US disclosed
US-20080193794-A1 Quinoxaline Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-08-14 US disclosed
US-20080193794-A1 Quinoxaline Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-08-14 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 (1 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-20080193794-A1 Quinoxaline Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SLC35E1, SLC1A2, ATP1A2 ALDH1A1 92/4885HSD17B10 2574/4885KEAP1 25/4885

“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.