Sugi Predict

Sugi Predict / Compounds / SCHEMBL4594864

SCHEMBL4594864

SCHEMBL4594864

COc1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCEH1 Q6PIU2 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ MAPT P10636 4/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ KMT2A Q03164 6/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ BRCA1 P38398 1/20 0.49
▸ HNF4A P41235 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 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
SCHEMBL29625716 1.00 NCEH1 (0.64) NCEH1TSHRMAPTCYP3A4ALDH1A1
SCHEMBL8558969 0.83 NCEH1 (0.58) NCEH1TSHRMAPTCYP3A4ALDH1A1
SCHEMBL8623033 0.82 NCEH1 (0.57) NCEH1TSHRMAPTCYP3A4ALDH1A1
SCHEMBL11623131 0.82 NCEH1 (0.72) NCEH1TSHRMAPTCYP3A4ALDH1A1
SCHEMBL28215127 0.81 TDP1 (0.56) NCEH1MAPTCYP3A4ALDH1A1TDP1
SCHEMBL17207333 0.80 NCEH1 (0.58) NCEH1TSHRMAPTCYP3A4ALDH1A1
SCHEMBL2681766 0.80 TSHR (0.49) NCEH1TSHRMAPTCYP3A4ALDH1A1
SCHEMBL2681965 0.80 NCEH1 (0.51) NCEH1TSHRMAPTCYP3A4ALDH1A1
SCHEMBL11870524 0.79 NCEH1 (0.68) NCEH1TSHRCYP3A4ALDH1A1TDP1
SCHEMBL2681473 0.79 MAPT (0.52) NCEH1TSHRMAPTCYP3A4ALDH1A1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110577470-B Method for catalyzing selective nitration of 2-naphthyl methyl ether by using zeolite molecular sieve 蚌埠学院 2022-12-27 — — CN claimed
US-12187681-B2 Ion channel antagonists/blockers and uses thereof SHANGHAI EAST HOSPITAL (CN) 2025-01-07 — — US disclosed
CN-114401935-B Ion channel antagonists/blockers and uses thereof 上海市东方医院（同济大学附属东方医院） 2024-04-05 — — CN disclosed
CN-114057588-B Synthesis method of 8-amino-2-naphthol 大连双硼医药化工有限公司 2024-01-26 — — CN disclosed
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-05-23 — — US disclosed
US-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof SHANGHAI EAST HOSPITAL (CN) 2023-01-19 — — US disclosed
CN-110577470-B Method for catalyzing selective nitration of 2-naphthyl methyl ether by using zeolite molecular sieve 蚌埠学院 2022-12-27 — — CN disclosed
CN-114401935-A Ion channel antagonists/blockers and uses thereof 上海市东方医院（同济大学附属东方医院） 2022-04-26 — — CN disclosed
CN-114057588-A Synthesis method of 8-amino-2-naphthol 大连双硼医药化工有限公司 2022-02-18 — — CN disclosed
WO-2021114313-A1 ION CHANNEL ANTAGONISTS/BLOCKERS AND USES THEREOF SHANGHAI EAST HOSPITAL (CN) 2021-06-17 — — WO disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 — — US disclosed
WO-1996019476-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1996-06-27 — — WO disclosed
WO-1995035289-A1 NOVEL AMIDO QUINOXALINE DIONES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1995-12-28 — — WO disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 — — EP disclosed
US-4603136-A 2,4-DIAMINO-5-(SUBSTITUTED NAPHTHYLETHYL)PYRIMIDINES, BACTERICIDES SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 1986-07-29 — — US disclosed
EP-0051879-B1 SUBSTITUTED PYRIMIDINES, THEIR SYNTHESIS AND COMPOSITIONS CONTAINING THEM, THEIR USE IN MEDICINE AND INTERMEDIATES FOR MAKING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 — — EP disclosed
US-4438267-A ANTIBACTERIAL AGENTS SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 1984-03-20 — — US disclosed
EP-0051879-A2 Substituted pyrimidines, their synthesis and compositions containing them, their use in medicine and intermediates for making them THE WELLCOME FOUNDATION LIMITED (GB) 1982-05-19 — — EP disclosed
US-3994968-A 2-(5'-Halo-6'-methoxynaphth-2'-yl)-acrylic acid SYNTEX CORPORATION (PM) 1976-11-30 — — US disclosed
US-3960957-A 2-(6'-methoxynaphth-2'yl) propionaldoxime and 5'-halo derivatives thereof SYNTEX CORPORATION (PM) 1976-06-01 — — US 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-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof CACNA1F, CACNA1S, CACNA1D NCEH1 434/4885TSHR 2953/4885MAPT 2678/4885
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor KRAS, NRAS, MSH2 NCEH1 4797/4885TSHR 4157/4885MAPT 2882/4885
US-12187681-B2 Ion channel antagonists/blockers and uses thereof CACNA1F, CACNA1S, CACNA1D NCEH1 434/4885TSHR 2953/4885MAPT 2678/4885

“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.