SCHEMBL23235652

SCHEMBL23235652

O=[N+]([O-])c1ccc(-c2c3ccccc3cc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 2/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
TAAR1 Q96RJ0 2/20 0.49
TNKS O95271 2/20 0.48
TNKS2 Q9H2K2 2/20 0.48
PARP2 Q9UGN5 2/20 0.48
PARP1 P09874 1/20 0.48
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
ALOX5 P09917 1/20 0.47

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
SCHEMBL27214760 0.87 ALDH1A1 (0.56) TDP1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL28866677 0.81 SMN1; SMN2 (0.48) TDP1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL12583221 0.81 SMN1; SMN2 (0.49) CYP3A4TDP1TSHRMEN1KMT2A
SCHEMBL28255568 0.81 TAAR1 (0.46) CYP3A4TDP1TSHRMEN1KMT2A
SCHEMBL12583282 0.79 TDP1 (0.44) CYP3A4TDP1TSHRMEN1KMT2A
SCHEMBL13374625 0.79 MEN1 (0.48) TDP1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL10389345 0.78 MEN1 (0.45) TDP1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL9666436 0.77 ALDH1A1 (0.65) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL9807398 0.76 MEN1 (0.63) CYP3A4TDP1TSHRMEN1KMT2A
SCHEMBL347363 0.75 CA12 (0.54) TDP1TSHRMEN1KMT2ASMN1; SMN2

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
EP-3808750-B1 TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING ENE COMPOUND, AND METHOD FOR ANALYZING ENE COMPOUND TOKUYAMA CORP (JP) 2026-04-01 EP disclosed
US-11946910-B2 Triazolinedione adduct, method for producing triazolinedione adduct, method for producing ene compound, and method for analyzing ene compound TOKUYAMA CORPORATION (JP) 2024-04-02 US disclosed
CN-112218868-B Triazolinedione adducts, process for producing the same, process for producing alkylene compounds, and analytical method 株式会社德山 2023-12-08 CN disclosed
US-20210253587-A1 TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING ENE COMPOUND, AND METHOD FOR ANALYZING ENE COMPOUND TOKUYAMA CORPORATION (JP) 2021-08-19 US disclosed
EP-3808750-A1 TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING ENE COMPOUND, AND METHOD FOR ANALYZING ENE COMPOUND Tokuyama Corporation (JP) 2021-04-21 EP disclosed
CN-112218868-A Triazolinedione adduct, method for producing triazolinedione adduct, method for producing olefin compound, and method for analyzing olefin compound 株式会社德山 2021-01-12 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 (2 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-11946910-B2 Triazolinedione adduct, method for producing triazolinedione adduct, method for producing ene compound, and method for analyzing ene compound NR2E1, AR, NR5A2 CYP3A4 90/4885TDP1 2508/4885TSHR 650/4885
US-20210253587-A1 TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING ENE COMPOUND, AND METHOD FOR ANALYZING ENE COMPOUND NR2E1, AR, NR5A2 CYP3A4 90/4885TDP1 2508/4885TSHR 650/4885

“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.