SCHEMBL289872

SCHEMBL289872

O=C1Oc2ccc3ccccc3c2C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
NPC1 O15118 1/20 0.64
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
GPR84 Q9NQS5 1/20 0.49
DNMT1 P26358 1/20 0.48
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
PAX8 Q06710 1/20 0.47
CES1 P23141 2/20 0.46
CYP19A1 P11511 1/20 0.44
MAOA P21397 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
SCHEMBL15942118 0.87 KDM4E (0.51) KDM4EALDH1A1NPC1GAAMAPT
SCHEMBL11078200 0.74 KDM4E (0.54) KDM4EALDH1A1NPC1GAAMAPT
SCHEMBL4254800 0.74 CYP19A1 (0.50) KDM4EALDH1A1NPC1GAAMAPT
SCHEMBL13935969 0.72 GPR84 (0.49) KDM4EALDH1A1NPC1GAAMAPT
SCHEMBL19230419 0.72 DNMT1 (0.83) KDM4EALDH1A1NPC1GAAMAPT
SCHEMBL12236188 0.70 DNMT1 (0.67) KDM4EALDH1A1NPC1GAAMAPT
SCHEMBL7122517 0.70 DNMT1 (0.73) KDM4EALDH1A1NPC1GAAMAPT
SCHEMBL19230420 0.70 DNMT1 (0.73) KDM4EALDH1A1NPC1GAAMAPT
SCHEMBL16144677 0.70 DNMT1 (0.80) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL30362207 0.70 DNMT1 (0.67) KDM4EALDH1A1NPC1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121510-B Naphthofuran o-quinone compound, preparation method and application thereof, antitumor pharmaceutical composition and antibacterial pharmaceutical composition 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-04-14 CN disclosed
CN-108947948-B N-aryl naphthofuranone imine compound and synthetic method thereof 湖南大学 2021-07-20 CN disclosed
CN-113121510-A Naphthofuran o-quinone compound, preparation method and application thereof, antitumor pharmaceutical composition and antibacterial pharmaceutical composition 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2021-07-16 CN disclosed
US-20210161855-A1 5-LIPOXYGENASE ANTAGONISTS Instituto de Medicina Molecular João Lobo Antunes (PT) 2021-06-03 US disclosed
EP-3678657-A1 5-LIPOXYGENASE ANTAGONISTS Instituto de Medicina Molecular João Lobo Antunes (PT) 2020-07-15 EP disclosed
WO-2019050422-A1 5-LIPOXYGENASE ANTAGONISTS INSTITUTO DE MEDICINA MOLECULAR (PT) 2019-03-14 WO disclosed
WO-2017079864-A1 TREATMENT OF CANCERS RELATED TO CHRONICALLY ACTIVE RAS HANGZHOU YIER BIOTECH CO., LTD. (CN) 2017-05-18 WO disclosed
WO-2017079864-A1 TREATMENT OF CANCERS RELATED TO CHRONICALLY ACTIVE RAS HANGZHOU YIER BIOTECH CO., LTD. (CN) 2017-05-18 WO disclosed
WO-2017070012-A1 LAPACHONE DERIVATIVES CONTAINING TWO REDOX CENTERS AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-27 WO disclosed
US-9422231-B2 Method for inhibiting Trypanosoma cruzi HOWARD UNIVERSITY (US) 2016-08-23 US disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 US disclosed
EP-2427057-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2012-03-14 EP disclosed
WO-2010129049-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-11 WO disclosed
JP-2006290871-A COMPOUND EXHIBITING ANTI-CANCER PROPERTY, INTERMEDIATE THEREFOR AND METHOD FOR PRODUCING THE SAME TAHEEBO JAPAN KK 2006-10-26 JP disclosed
EP-0888326-B1 NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RES FOUND (US) 2006-08-16 EP disclosed
US-5969163-A CONTACTING SOLUTION OF LAWSONE IN DIMETHYL SULFOXIDE AT LOW TEMPERATURE WITH LITHIUM HYDRIDE AND WARMING TO FORM LITHIUM SALT, ALKYLATING WITH ALLYL HALIDE IN PRESENCE OF LITHIUM IODIDE, CYCLIZING ALKYLATED LAWSONE DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-10-19 US disclosed
EP-0888326-A2 NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-01-07 EP disclosed
US-5824700-A ANTICARCINOGENIC AGENTS FOR TREATING BREAST CANCER OR COLON CANCER WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1998-10-20 US disclosed
WO-1997031936-A2 NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1997-09-04 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 (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-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION NR2C2, NR0B2, NR4A2 KDM4E 3707/4885ALDH1A1 862/4885NPC1 2995/4885
US-20210161855-A1 5-LIPOXYGENASE ANTAGONISTS ALOX5, ALOX15, ALOX15B KDM4E 1552/4885ALDH1A1 299/4885NPC1 3178/4885
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS PDF, EIF5B, EIF4E KDM4E 169/4885ALDH1A1 3464/4885NPC1 1866/4885

“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.