Menadione

Menadione

SCHEMBL5689015

CC1=CC(=O)c2ccccc2C1=O.O=S(=O)(O)O

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Menadione. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA known ✓ P21397 1/20 0.84
MAOB known ✓ P27338 1/20 0.84
MAP2K1 known ✓ Q02750 1/20 0.53
ALDH1A1 P00352 5/20 0.84
MAPT P10636 5/20 0.84
CDC25B P30305 5/20 0.84
CDC25A P30304 4/20 0.84
HPGD P15428 4/20 0.84
MAPK1 P28482 4/20 0.84
MEN1 O00255 4/20 0.84
KMT2A Q03164 4/20 0.84
IDO1 P14902 3/20 0.84
CYP3A4 P08684 3/20 0.84
LMNA P02545 3/20 0.84
TP53 P04637 2/20 0.84
CYP1A2 P05177 2/20 0.84
HSPD1 P10809 2/20 0.84
BLM P54132 2/20 0.84
HSPE1 P61604 2/20 0.84
SMN1; SMN2 Q16637 2/20 0.84

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
Menadione SCHEMBL28229328 1.00 ALDH1A1 (0.84) ALDH1A1MAPTCDC25BCDC25AHPGD
Menadione SCHEMBL27354760 0.98 ALDH1A1 (0.81) ALDH1A1MAPTCDC25BCDC25AHPGD
Menadione SCHEMBL29351164 0.92 MAPT (1.00) ALDH1A1MAPTCDC25BCDC25AHPGD
Menadione SCHEMBL25970 0.92 MAPT (1.00) ALDH1A1MAPTCDC25BCDC25AHPGD
Menadione SCHEMBL1364028 0.92 MAPT (1.00) ALDH1A1MAPTCDC25BCDC25AHPGD
Menadione SCHEMBL19356853 0.92 MAPT (1.00) ALDH1A1MAPTCDC25BCDC25AHPGD
Menadione SCHEMBL28043536 0.91 ALDH1A1 (0.75) ALDH1A1MAPTCDC25BCDC25AHPGD
Menadione SCHEMBL9163371 0.90 MAPT (0.95) ALDH1A1MAPTCDC25BCDC25AHPGD
Menadione SCHEMBL3411128 0.90 MAPT (0.95) ALDH1A1MAPTCDC25BCDC25AHPGD
Menadione SCHEMBL9812440 0.90 MAPT (0.95) ALDH1A1MAPTCDC25BCDC25AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61215305-A None JP disclosed
JP-56063905-A None JP disclosed
US-20240165084-A1 ASCORBIC ACID AND QUINONE COMPOUNDS IN COMBINATION WITH AN ANTIPARASITIC AGENT FOR TREATING A PARASITIC DISEASE IC-MedTech Corp. 2024-05-23 US disclosed
CN-115461096-A Polymer encapsulated drug particles 吉益医疗公司 2022-12-09 CN disclosed
US-20210283100-A1 ASCORBIC ACID, QUINONE COMPOUND, AND SODIUM GLUCOSE COTRANSPORTER INHIBITOR FOR TREATING CANCER IC MEDTECH CORP (US) 2021-09-16 US disclosed
US-20200281225-A1 FEED ADDITIVE COMPOSITION INTERNATIONAL N&H DENMARK APS (DK) 2020-09-10 US disclosed
WO-2016108036-A9 COMPOSITION CONTAINING CHITIN AND DIGESTIBLE PROTEINS YNSECT (FR) 2019-10-17 WO disclosed
WO-2016108037-A9 BEETLE POWDER YNSECT (FR) 2019-10-17 WO disclosed
US-20190054064-A1 VITAMIN C AND VITAMIN K COMPOUND FOR TREATING PANCREATIC CANCER IC MEDTECH CORP (US) 2019-02-21 US disclosed
EP-3373741-A1 FEED ADDITIVE COMPOSITION DuPont Nutrition Biosciences ApS (DK) 2018-09-19 EP disclosed
WO-2017083196-A1 FEED ADDITIVE COMPOSITION DUPONT NUTRITION BIOSCIENCES APS (DK) 2017-05-18 WO disclosed
US-20160303072-A1 VITAMINS C AND K FOR TREATING POLYCYSTIC DISEASES IC-MEDTECH CORP (US) 2016-10-20 US disclosed
US-20160106709-A1 VITAMIN C AND CHROMIUM-FREE VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATING AN NFKB-MEDIATED CONDITION OR DISEASE SUMMA HEALTH SYSTEM 2016-04-21 US disclosed
CN-105154484-A Method for increasing yield of flavobacterium synthetic vitamin K2 (MK) by means of adding inductive substances HEFEI INST PHYSICAL SCI CAS 2015-12-16 CN disclosed
EP-1538136-B1 Fertilizer composition to stimulate the absorption of nutritive substances in plants VALAGRO SPA (IT) 2006-03-08 EP disclosed
WO-2005054156-A1 FERTILIZER COMPOSITION TO STIMULATE THE ABSORPTION OF NUTRITIVE SUBSTANCES IN PLANTS VALAGRO S.P.A. (IT) 2005-06-16 WO disclosed
EP-1538136-A1 Fertilizer composition to stimulate the absorption of nutritive substances in plants Valagro S.p.A. (IT) 2005-06-08 EP disclosed
US-20050119127-A1 Fertilizer composition to stimulate the absorption of nutritive substances in plants VALAGRO S.P.A. (IT) 2005-06-02 US disclosed
JP-S61215305-A PLANT GROWTH REGULATOR TOMOE KAGAKU KOGYO KK 1986-09-25 JP disclosed
JP-S5663905-A THIOL CARBAMATE HERBICIDAL COMPOSITION ASAHI CHEM IND CO LTD 1981-05-30 JP 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-20210283100-A1 ASCORBIC ACID, QUINONE COMPOUND, AND SODIUM GLUCOSE COTRANSPORTER INHIBITOR FOR TREATING CANCER SLC5A1, SLC5A2, SLC5A6 MAOA 1009/4885MAOB 1054/4885MAP2K1 729/4885
US-20190054064-A1 VITAMIN C AND VITAMIN K COMPOUND FOR TREATING PANCREATIC CANCER PROC, VKORC1, VKORC1L1 MAOA 3697/4885MAOB 3162/4885MAP2K1 439/4885
US-20160303072-A1 VITAMINS C AND K FOR TREATING POLYCYSTIC DISEASES PROC, PKD1, IKBKG MAOA 4161/4885MAOB 3352/4885MAP2K1 3357/4885
US-20240165084-A1 ASCORBIC ACID AND QUINONE COMPOUNDS IN COMBINATION WITH AN ANTIPARASITIC AGENT FOR TREATING A PARASITIC DISEASE NQO1, ADH7, CYP27B1 MAOA 351/4885MAOB 468/4885MAP2K1 1095/4885
US-20160106709-A1 VITAMIN C AND CHROMIUM-FREE VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATING AN NFKB-MEDIATED CONDITION OR DISEASE PROC, NFKB2, NFKBIA MAOA 3280/4885MAOB 1377/4885MAP2K1 2297/4885

“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.