SCHEMBL2091827

SCHEMBL2091827

O=[C]OCc1ccccc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
MAOB P27338 4/20 0.48
MAOA P21397 1/20 0.48
KMT2A Q03164 1/20 0.41
TACR1 P25103 1/20 0.40
POLQ O75417 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
DAO P14920 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
AR P10275 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37

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
SCHEMBL5539587 0.86 IDO1 (0.43) IDO1MAOBMAOATACR1FFAR4
SCHEMBL5537018 0.84 IDO1 (0.42) IDO1MAOBMAOAKMT2APOLQ
SCHEMBL2097559 0.82 IDO1 (0.47) IDO1MAOBMAOAKMT2APOLQ
SCHEMBL6817876 0.81 IDO1 (0.38) IDO1MAOBMAOAKDM4EALDH1A1
SCHEMBL2091951 0.80 IDO1 (0.45) IDO1MAOBMAOAKMT2APOLQ
SCHEMBL3090494 0.80 IDO1 (0.38) IDO1MAOBMAOAFFAR1AR
SCHEMBL3088642 0.78 IDO1 (0.70) IDO1MAOBMAOAKMT2ATACR1
SCHEMBL2090202 0.75 HDAC3 (0.40) FFAR1
SCHEMBL5540071 0.75 AR (0.50) MAOBMAOAAR
SCHEMBL3810755 0.75 IDO1 (0.50) IDO1MAOBMAOAKMT2APOLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009032840-A1 FLUORINE- SUBSTITUTED 2 ', 6 ' -DIMETHYL-L-TYROSINE-1, 2,3, 4-TETRAHYDR0IS0QUIN0LINE-3-CARB0XYLIC ACID PEPTIDES (DMT-TIC) FOR USE AS MYU- AND DELTA-OPIOID RECEPTOR PROBES IN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-12 WO claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-103073472-B The preparation method of the azacycloparaffin of 2 trifluoromethyl, 1 benzyloxycarbonyl group 1 武汉药明康德新药开发有限公司 2018-01-12 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
EP-1247655-A1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS Mitsui Chemicals, Inc. (JP) 2002-10-09 EP disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
US-6284791-B1 USEFUL AS AN ANTI-MICROBIAL AGAINST HELICOBACTER PYLORI TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) 2001-09-04 US disclosed
EP-0775692-B1 GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE TEIKOKU CHEM IND CO LTD (JP) 2000-12-06 EP disclosed
EP-0989112-A2 Intermediates for the preparation of guanidinomethyl cyclohexane carboxylic acid ester derivatives TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 2000-03-29 EP disclosed
EP-0775692-A1 GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1997-05-28 EP disclosed
EP-0543662-B1 Aromatic amino-alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses SANKYO CO (JP) 1996-09-18 EP disclosed
EP-0543662-A2 Aromatic amino-alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1993-05-26 EP disclosed
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 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 (1 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 IDO1 2665/4885MAOB 1654/4885MAOA 2692/4885

“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.