SCHEMBL124586

SCHEMBL124586

O=C1Nc2cc(Cl)cc(Cl)c2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES1 P23141 10/20 1.00
DNMT1 P26358 1/20 0.52
TGM2 P21980 1/20 0.47
HTR6 P50406 10/20 0.44

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
SCHEMBL29758460 1.00 CES1 (1.00) CES1DNMT1TGM2HTR6
SCHEMBL8873852 0.94 CES1 (0.88) CES1DNMT1TGM2HTR6
SCHEMBL8872450 0.82 CES1 (0.69) CES1DNMT1TGM2HTR6
SCHEMBL8872444 0.82 CES1 (0.69) CES1DNMT1TGM2HTR6
SCHEMBL1398043 0.82 CES1 (0.69) CES1DNMT1TGM2
SCHEMBL6176815 0.82 CES1 (0.69) CES1DNMT1TGM2HTR6
SCHEMBL8573750 0.82 CES1 (0.69) CES1DNMT1TGM2
SCHEMBL7054754 0.80 CES1 (0.66) CES1DNMT1TGM2HTR6
SCHEMBL7054752 0.80 CES1 (0.66) CES1DNMT1TGM2HTR6
SCHEMBL7052297 0.80 CES1 (0.66) CES1DNMT1TGM2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118125961-A 1- (4-Trifluoromethyl-benzyl) -isatin derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-06-04 CN disclosed
CN-114805353-B Synthesis of azatryptanthrin derivative and application of azatryptanthrin derivative in prevention and treatment of plant pathogenic bacteria, fungi bactericide and anti-plant virus preparation 贵州大学 2023-09-26 CN disclosed
CN-114805353-A Synthesis of azatryptanthrin derivative and application of azatryptanthrin derivative in prevention and treatment of plant pathogenic bacteria, fungi bactericide and anti-plant virus preparation 贵州大学 2022-07-29 CN disclosed
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-9889130-B2 Substituted 3-benzofuranyl-indol-2-one-3-acetamididopiperazine derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2018-02-13 US disclosed
US-20170119761-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2017-05-04 US disclosed
CN-102361864-B 3-benzofuryl-indol-2-one-3-kharophen the bridged piperazine derivatives replaced, its preparation and therepic use thereof SAI NUOFEI (FR) 2015-11-25 CN disclosed
CN-102361865-B At 3-benzofuryl-indol-2-one derivates that 3 replace, its preparation and therepic use thereof SAI NUOFEI (FR) 2015-11-25 CN disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-5599814-A SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-02-04 US disclosed
US-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 US disclosed
EP-0747354-A1 3-Substituted oxindole derivatives as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
EP-0516297-B1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LTD (GB) 1996-10-30 EP disclosed
US-5565483-A ADMINISTERING AS THERAPY FOR ISCHEMIA, CONVULSIONS OR ASTHMA BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 WO disclosed
EP-0516297-A1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LIMITED (GB) 1992-12-02 EP disclosed
US-4883800-A DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-11-28 US disclosed
US-4734419-A Quinazoline derivatives, compositions thereof and their use in treating diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed
EP-0218999-A2 New quinazoline derivatives, process for their production and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-22 EP 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-20170119761-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF IDO1, TPH1, QDPR CES1 2257/4885DNMT1 3180/4885TGM2 4356/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CES1 1494/4885DNMT1 1912/4885TGM2 421/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CES1 1494/4885DNMT1 1912/4885TGM2 421/4885

“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.