SCHEMBL3594546

SCHEMBL3594546

CNc1cccc2c(O)cccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.76
CDC25B P30305 3/20 0.49
EP300 Q09472 2/20 0.48
KAT2B Q92831 2/20 0.48
KAT8 Q9H7Z6 2/20 0.48
TRPV1 Q8NER1 2/20 0.47
CDK2 P24941 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
APP P05067 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
SNCA P37840 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 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
SCHEMBL10158309 0.86 IDO1 (1.00) IDO1EP300KAT2BKAT8GAA
SCHEMBL8147899 0.85 IDO1 (0.58) IDO1CDC25BEP300KAT2BKAT8
SCHEMBL2770442 0.79 CDC25B (0.50) IDO1CDC25BEP300KAT2BKAT8
SCHEMBL4583715 0.78 EP300 (0.80) IDO1CDC25BEP300KAT2BKAT8
SCHEMBL28327 0.77 IDO1 (0.73) IDO1EP300KAT2BKAT8CDK2
SCHEMBL29351230 0.77 IDO1 (0.73) IDO1EP300KAT2BKAT8CDK2
SCHEMBL4869305 0.77 IDO1 (0.73) IDO1EP300KAT2BKAT8CDK2
SCHEMBL11411652 0.77 IDO1 (0.79) IDO1CDC25BEP300KAT2BKAT8
SCHEMBL5510298 0.77 IDO1 (0.52) IDO1CDC25BEP300KAT2BKAT8
SCHEMBL17715571 0.76 HPGD (0.52) IDO1TRPV1CDK2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072584-B Near-infrared fluorescent small molecule probe and preparation and application thereof 南京科技职业学院 2022-06-24 CN claimed
CN-111072584-A Near-infrared fluorescent small molecule probe and preparation and application thereof 南京科技职业学院 2020-04-28 CN claimed
CN-111072584-B Near-infrared fluorescent small molecule probe and preparation and application thereof 南京科技职业学院 2022-06-24 CN disclosed
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-03 US disclosed
CN-111072584-A Near-infrared fluorescent small molecule probe and preparation and application thereof 南京科技职业学院 2020-04-28 CN disclosed
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-10-29 US disclosed
US-9994586-B2 Monocyclic, thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-12 US disclosed
WO-2017031176-A1 MONOCYCLIC, THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF THE SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-02-23 WO disclosed
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-02-23 US disclosed
CN-103298772-B Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2015-06-24 CN disclosed
CN-103298772-A Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2013-09-11 CN disclosed
EP-1765821-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2007-03-28 EP disclosed
US-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. 2006-04-06 US disclosed
WO-2005123069-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC. (US) 2005-12-29 WO disclosed
EP-0326223-B1 Copolymer composition SHELL INT RESEARCH (NL) 1996-05-08 EP disclosed
CN-1034740-A Copolymer compositions SHELL INT RESEARCH (NL) 1989-08-16 CN disclosed
US-4855427-A Epoxy resins obtained from reaction of epoxyalkyl halides and aromatic hydroxyl-containing melamines BASF AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed
EP-0326223-A2 Copolymer composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-08-02 EP disclosed
US-4795774-A OXIDATION RESISTANCE BY INCORPORATING AN AROMATIC AMINE STABILIZER SHELL OIL COMPANY (US) 1989-01-03 US disclosed
EP-0296493-A2 Epoxy resins BASF Aktiengesellschaft (DE) 1988-12-28 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 (4 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-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation MGAM, GSK3B, GSK3A IDO1 1133/4885CDC25B 3073/4885EP300 1791/4885
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TYMS, THPO IDO1 1580/4885CDC25B 341/4885EP300 3562/4885
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TPX2, TYMS IDO1 1194/4885CDC25B 430/4885EP300 2544/4885
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same CYP4F3, TYMS, DPYD IDO1 765/4885CDC25B 2063/4885EP300 1772/4885

“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.