SCHEMBL30072053

SCHEMBL30072053

O=c1ncn(Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SLC29A1 Q99808 9/20 0.50
DBH P09172 1/20 0.48
CYP19A1 P11511 1/20 0.47
P2RX4 Q99571 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL30071806 0.80 BRD4 (0.49) LMNAMEN1KMT2A
SCHEMBL30072054 0.79 CYP11B2 (0.46) LMNAMEN1KMT2ADBH
SCHEMBL30072048 0.79 CYP11B2 (0.46) LMNAMEN1KMT2ADBH
SCHEMBL30072152 0.79 TP53 (0.50) LMNAMEN1KMT2A
SCHEMBL30595217 0.79 PARN (0.54)
SCHEMBL23296136 0.77 DBH (0.54) LMNAMEN1KMT2ADBHCYP19A1
SCHEMBL30071914 0.77 CYP11B2 (0.51) LMNAMEN1KMT2A
SCHEMBL30072037 0.75 QPCT (0.42) ADORA2AADORA1
SCHEMBL28017562 0.74 MEN1 (0.55) LMNAMEN1KMT2ASLC29A1DBH
SCHEMBL4486235 0.73 KMT2A (0.60) LMNAMEN1KMT2ADBH

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-12221424-B2 3-tetrazolylmethyl-1,3,5-triazin-2,4-dione compound inhibiting coronavirus 3CL protease activity and preparation method and use thereof Shaanxi Panlong Pharmaceutical Co., Ltd. (CN) 2025-02-11 US disclosed
CN-115260167-B 3-Tetrazolylmethyl-1, 3, 5-triazine-2, 4-dione compound and preparation method and application thereof 陕西盘龙药业集团股份有限公司 2025-01-21 CN disclosed
CN-117186077-A 3-triazolylmethyl-1, 3, 5-triazine-2, 4-dione compound and preparation method and application thereof 陕西盘龙药业集团股份有限公司 2023-12-08 CN disclosed
US-20230391736-A1 3-TETRAZOLYLMETHYL-1,3,5-TRIAZIN-2,4-DIONE COMPOUND INHIBITING CORONAVIRUS 3CL PROTEASE ACTIVITY AND PREPARATION METHOD AND USE THEREOF Shaanxi Panlong Pharmaceutical Co., Ltd. (CN) 2023-12-07 US disclosed
US-11612603-B1 3-triazolyl methyl-1,3,5-triazine-2,4-dione compounds and preparation method and application thereof Shaanxi Panlong Pharmaceutical Co., Ltd. (CN) 2023-03-28 US disclosed
CN-115260167-A 3-tetrazolylmethyl-1, 3, 5-triazine-2, 4-diketone compound and preparation method and application thereof 陕西盘龙药业集团股份有限公司 2022-11-01 CN 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 (3 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-11612603-B1 3-triazolyl methyl-1,3,5-triazine-2,4-dione compounds and preparation method and application thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TERT, TAAR5 LMNA 3466/4885MEN1 740/4885KMT2A 725/4885
US-12221424-B2 3-tetrazolylmethyl-1,3,5-triazin-2,4-dione compound inhibiting coronavirus 3CL protease activity and preparation method and use thereof ACE2, ACE, GTF3C3 LMNA 2266/4885MEN1 4008/4885KMT2A 1755/4885
US-20230391736-A1 3-TETRAZOLYLMETHYL-1,3,5-TRIAZIN-2,4-DIONE COMPOUND INHIBITING CORONAVIRUS 3CL PROTEASE ACTIVITY AND PREPARATION METHOD AND USE THEREOF ACE2, ACE, GTF3C3 LMNA 2266/4885MEN1 4008/4885KMT2A 1755/4885

“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.