SCHEMBL20543738

SCHEMBL20543738

CCOC(=O)C(Cc1ccco1)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SCN9A Q15858 1/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 3/20 0.40
HTT P42858 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
USP2 O75604 1/20 0.38
NFKB1 P19838 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
NFKB2 Q00653 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38

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
SCHEMBL20543721 0.79 SCN9A (0.40) ALDH1A1SCN9ALMNATSHRL3MBTL1
SCHEMBL20543648 0.79 SCN9A (0.40) ALDH1A1SCN9ALMNAL3MBTL1HPGD
SCHEMBL7538811 0.77 SCN9A (0.44) SCN9AL3MBTL1MAPT
SCHEMBL2668227 0.77 ALDH1A1 (0.46) ALDH1A1LMNATSHRL3MBTL1HPGD
SCHEMBL6778635 0.77 ALDH1A1 (0.49) ALDH1A1LMNATSHRL3MBTL1HPGD
Hydrochloric Acid SCHEMBL6777275 0.75 ALDH1A1 (0.47) ALDH1A1LMNATSHRL3MBTL1HPGD
SCHEMBL20543532 0.75 SCN9A (0.39) ALDH1A1SCN9ATSHRL3MBTL1SMN1; SMN2
SCHEMBL20543910 0.75 CYP2C19 (0.46) ALDH1A1SCN9ALMNATSHRHPGD
SCHEMBL20543397 0.75 SCN9A (0.39) SCN9AL3MBTL1SMN1; SMN2MAPTTRPM8
SCHEMBL11008222 0.74 ALDH1A1 (0.46) ALDH1A1LMNATSHRL3MBTL1HPGD

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
US-12612411-B1 Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins INSTITUT PASTEUR (FR) 2026-04-28 US disclosed
US-12576164-B2 Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins INSTITUT PASTEUR (FR) 2026-03-17 US disclosed
EP-3964501-B1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS PASTEUR INSTITUT (FR) 2024-09-04 EP disclosed
US-20240197923-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS INSTITUT PASTEUR (FR) 2024-06-20 US disclosed
US-11938199-B2 Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins INSTITUT PASTEUR (FR) 2024-03-26 US disclosed
EP-3964501-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS INSTITUT PASTEUR (FR) 2022-03-09 EP disclosed
EP-3615516-B1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS PASTEUR INSTITUT (FR) 2021-11-17 EP disclosed
US-20200129644-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS INSTITUT PASTEUR (FR) 2020-04-30 US disclosed
EP-3615516-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS Institut Pasteur (FR) 2020-03-04 EP disclosed
WO-2018197727-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS INSTITUT PASTEUR (FR) 2018-11-01 WO disclosed
EP-3395803-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS Institut Pasteur (FR) 2018-10-31 EP 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 (5 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-11938199-B2 Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins NISCH, HLCS, CYP3A5 ALDH1A1 972/4885SCN9A 4707/4885LMNA 698/4885
US-20200129644-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS NISCH, HLCS, CYP3A5 ALDH1A1 972/4885SCN9A 4707/4885LMNA 698/4885
US-12576164-B2 Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins LUC7L2, HLCS, LANCL1 ALDH1A1 659/4885SCN9A 3447/4885LMNA 302/4885
US-12612411-B1 Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins LUC7L2, MRPL21, CRY1 ALDH1A1 1484/4885SCN9A 2877/4885LMNA 1080/4885
US-20240197923-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS NISCH, HLCS, CYP3A5 ALDH1A1 972/4885SCN9A 4707/4885LMNA 698/4885

“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.