SCHEMBL21683243

SCHEMBL21683243

O=[N+]([O-])c1[nH]cnc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
LMNA P02545 2/20 0.61
TAAR1 Q96RJ0 1/20 0.54
MAPT P10636 4/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 2/20 0.52
KMT2A Q03164 5/20 0.43
HPGD P15428 2/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL9517086 0.84 LMNA (0.64) POLBLMNATAAR1MAPTKDM4E
SCHEMBL5766530 0.71 KMT2A (0.50) LMNAMAPTKDM4EKMT2AHPGD
SCHEMBL29030026 0.71 CYP3A4 (0.52) POLBLMNATAAR1MAPTKDM4E
SCHEMBL1260158 0.71 MAPT (0.45) LMNATAAR1MAPTKMT2AHPGD
SCHEMBL4265706 0.71 TAAR1 (0.50) LMNATAAR1MAPTCYP3A4KMT2A
SCHEMBL29105518 0.70 SMN1; SMN2 (0.56) POLBMAPTKDM4EKMT2AHPGD
SCHEMBL11730856 0.70 MAPT (0.50) POLBLMNAMAPTKMT2AHPGD
SCHEMBL11453607 0.70 TAAR1 (1.00) POLBLMNATAAR1MAPTKDM4E
SCHEMBL11062732 0.70 KMT2A (0.54) POLBLMNATAAR1MAPTKMT2A
SCHEMBL11453608 0.70 TAAR1 (1.00) POLBLMNATAAR1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113271939-B Imidazole tetrazine compounds 伊利诺伊大学董事会 2025-03-07 CN disclosed
US-20250066371-A1 FLUOROALKOXYALKYLENE-DIHYDROIMIDAZO[5,1-D]TETRAZINONE COMPOUNDS AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS MODIFI BIOSCIENCES, INC. 2025-02-27 US disclosed
US-12234240-B2 Substituted imidazo[5,1-d][1,2,3,5]tetrazines for the treatment of cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-02-25 US disclosed
WO-2025034537-A1 FLUOROALKOXYALKYLENE-DIHYDROIMIDAZO[5,1-D]TETRAZINONE COMPOUNDS AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS MODIFI BIOSCIENCES, INC. (US) 2025-02-13 WO disclosed
US-20240124462-A9 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-04-18 US disclosed
US-20230183252-A1 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-06-15 US disclosed
US-20230183252-A1 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-06-15 US disclosed
US-20210315886-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-10-14 US disclosed
CN-113271939-A Imidazole tetrazine compounds 伊利诺伊大学董事会 2021-08-17 CN disclosed
EP-3833342-A1 IMIDAZOTETRAZINE COMPOUNDS The Board of Trustees of the University of Illinois (US) 2021-06-16 EP disclosed
US-20210002286-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-01-07 US disclosed
WO-2020033880-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-02-13 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 (6 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-20250066371-A1 FLUOROALKOXYALKYLENE-DIHYDROIMIDAZO[5,1-D]TETRAZINONE COMPOUNDS AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS PKD1, APC, VHL POLB 2091/4885LMNA 1603/4885TAAR1 963/4885
US-20230183252-A1 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER MCL1, IDH1, IDH2 POLB 1506/4885LMNA 3493/4885TAAR1 1679/4885
US-20240124462-A9 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER MCL1, IDH1, IDH2 POLB 1506/4885LMNA 3493/4885TAAR1 1679/4885
US-12234240-B2 Substituted imidazo[5,1-d][1,2,3,5]tetrazines for the treatment of cancer MCL1, IDH1, IDH2 POLB 1506/4885LMNA 3493/4885TAAR1 1679/4885
US-20210002286-A1 IMIDAZOTETRAZINE COMPOUNDS MCL1, IDH1, IDH2 POLB 1551/4885LMNA 3448/4885TAAR1 3545/4885
US-20210315886-A1 IMIDAZOTETRAZINE COMPOUNDS MCL1, IDH1, IDH2 POLB 1551/4885LMNA 3448/4885TAAR1 3545/4885

“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.