SCHEMBL20543742

SCHEMBL20543742

CCOC(=O)C(Cc1ccc(OC)cc1)[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
EPHX2 P34913 1/20 0.48
KMT2A Q03164 3/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SCN9A Q15858 1/20 0.44
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CCR6 P51684 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A4 P31645 1/20 0.41
GAA P10253 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL7538811 0.91 SCN9A (0.44) EPHX2SCN9AMAPTPPARGCRHBP
SCHEMBL4645918 0.86 SCN9A (0.45) EPHX2KMT2AALDH1A1SCN9AMAPT
SCHEMBL20543556 0.84 PPARG (0.47) EPHX2KMT2AALDH1A1SCN9AMAPT
SCHEMBL20543688 0.84 TAAR1 (0.48) KMT2AALDH1A1SCN9AMAPTMEN1
SCHEMBL4644483 0.83 SCN9A (0.41) EPHX2KMT2AALDH1A1SCN9AMAPT
SCHEMBL20543685 0.82 L3MBTL1 (0.58) ALDH1A1SCN9ALMNAPPARGPPARA
SCHEMBL4641488 0.81 BCL9 (0.44) EPHX2KMT2AALDH1A1SCN9AMAPT
SCHEMBL4646088 0.80 BCL9 (0.43) EPHX2KMT2AALDH1A1SCN9AMAPT
SCHEMBL17335981 0.80 LDHA (0.47) LDHAEPHX2KMT2AGLAALDH1A1
SCHEMBL4474752 0.79 LDHA (0.53) LDHAALDH1A1SLC6A4GAAPPARG

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 LDHA 687/4885EPHX2 1606/4885KMT2A 2961/4885
US-20200129644-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS NISCH, HLCS, CYP3A5 LDHA 687/4885EPHX2 1606/4885KMT2A 2961/4885
US-12576164-B2 Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins LUC7L2, HLCS, LANCL1 LDHA 307/4885EPHX2 381/4885KMT2A 4770/4885
US-12612411-B1 Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins LUC7L2, MRPL21, CRY1 LDHA 1591/4885EPHX2 1518/4885KMT2A 4589/4885
US-20240197923-A1 IMIDAZOPYRAZINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND THEIR USES AS LUCIFERINS NISCH, HLCS, CYP3A5 LDHA 687/4885EPHX2 1606/4885KMT2A 2961/4885

“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.