SCHEMBL2343340

SCHEMBL2343340

O=C/C=C/c1ccc(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.57
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
HTR2A P28223 5/20 0.45
KCNH2 Q12809 4/20 0.45
HTR2C P28335 4/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
NR3C2 P08235 1/20 0.38

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
SCHEMBL4291385 1.00 NFE2L2 (0.57) NFE2L2PTGS1PTGS2HTR2AKCNH2
SCHEMBL3720644 1.00 NFE2L2 (0.57) NFE2L2PTGS1PTGS2HTR2AKCNH2
SCHEMBL7810204 0.92 NFE2L2 (0.53) NFE2L2PTGS1PTGS2HTR2AKCNH2
SCHEMBL7810200 0.92 NFE2L2 (0.53) NFE2L2PTGS1PTGS2HTR2AKCNH2
SCHEMBL31182057 0.83 NFE2L2 (0.57) NFE2L2CDK4CCND1
SCHEMBL706361 0.83 NFE2L2 (0.57) NFE2L2CDK4CCND1
SCHEMBL706360 0.83 NFE2L2 (0.57) NFE2L2CDK4CCND1
SCHEMBL12651352 0.82 XDH (0.50) NFE2L2HTR2AKCNH2HTR2CCYP1A1
SCHEMBL21676102 0.80 TDP1 (0.44) NFE2L2CDK4CCND1
SCHEMBL21631066 0.80 CDK4 (0.37) NFE2L2CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12050224-B2 Compounds useful as near-infrared fluorescent probes selectively binding to tau aggregates and method of preparing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2024-07-30 US disclosed
US-11319300-B2 Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) 2022-05-03 US disclosed
US-20210255203-A1 NOVEL COMPOUNDS USEFUL AS NEAR-INFRARED FLUORESCENT PROBES SELECTIVELY BINDING TO TAU AGGREGATES AND METHOD OF PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-08-19 US disclosed
EP-3239139-B1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE NINGBO COMBIREG PHARMACEUTICAL TECH CO LTD (CN) 2020-10-28 EP disclosed
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
US-20200165229-A1 POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) 2020-05-28 US disclosed
CN-108341801-B Polyfluoro-substituted aromatic heterocycle derivatives, pharmaceutical composition containing polyfluoro-substituted aromatic heterocycle derivatives and application of polyfluoro-substituted aromatic heterocycle derivatives 浙江大学 2020-05-12 CN disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
WO-2018137555-A1 POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUND DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF 浙江大学 2018-08-02 WO disclosed
US-20110263572-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5-RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2011-10-27 US disclosed
US-8008291-B2 3-aminoalkyl-1,4-diazepan-2-one melanocortin-5 receptor antagonists MIMETICA PTY LTD (AU) 2011-08-30 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (11 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-20200165229-A1 POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF BPHL, AR, FRK NFE2L2 1363/4885PTGS1 2324/4885PTGS2 2933/4885
US-20110263572-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5-RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R NFE2L2 2310/4885PTGS1 983/4885PTGS2 1168/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NFE2L2 846/4885PTGS1 3838/4885PTGS2 3418/4885
US-12050224-B2 Compounds useful as near-infrared fluorescent probes selectively binding to tau aggregates and method of preparing the same MAPT, PSEN1, PSEN2 NFE2L2 1758/4885PTGS1 3959/4885PTGS2 4127/4885
US-11319300-B2 Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof AKT1, AKT2, AKT3 NFE2L2 1658/4885PTGS1 1766/4885PTGS2 2600/4885
US-20210255203-A1 NOVEL COMPOUNDS USEFUL AS NEAR-INFRARED FLUORESCENT PROBES SELECTIVELY BINDING TO TAU AGGREGATES AND METHOD OF PREPARING THE SAME MAPT, PSEN1, PSEN2 NFE2L2 1882/4885PTGS1 4124/4885PTGS2 4235/4885
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R NFE2L2 1613/4885PTGS1 472/4885PTGS2 573/4885
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R NFE2L2 2193/4885PTGS1 957/4885PTGS2 1151/4885
US-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 NFE2L2 2540/4885PTGS1 1565/4885PTGS2 1867/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R NFE2L2 2410/4885PTGS1 437/4885PTGS2 697/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 NFE2L2 2483/4885PTGS1 1431/4885PTGS2 2031/4885

“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.