SCHEMBL545529

SCHEMBL545529

O=C=Nc1ccc(OC(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.48
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 2/20 0.43
PKM P14618 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
CCR6 P51684 1/20 0.43
ALOX15 P16050 1/20 0.43
GFER P55789 1/20 0.43
ADAM17 P78536 1/20 0.43
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11528911 0.84 CYP3A4 (0.44) DRD1CYP3A4TSHRALDH1A1KMT2A
SCHEMBL8136791 0.81 CYP3A4 (0.41) DRD1CYP3A4TSHRMAPK1TDP1
SCHEMBL1588318 0.81 P2RY6 (0.48) DRD1ALDH1A1KMT2AMEN1LMNA
SCHEMBL1569276 0.80 DRD1 (0.46) DRD1ALDH1A1KMT2AMEN1LMNA
SCHEMBL9111062 0.79 ALDH1A3 (0.53) CYP3A4TSHRALDH1A1KMT2AMAPK1
SCHEMBL9299386 0.78 CYP3A4 (0.39) DRD1CYP3A4TSHRMAPK1TDP1
SCHEMBL50333 0.78 CYP3A4 (0.54) CYP3A4TSHRALDH1A1KMT2AMEN1
SCHEMBL4544188 0.78 CYP3A4 (0.54) CYP3A4TSHRALDH1A1KMT2AMEN1
SCHEMBL4551613 0.78 CYP3A4 (0.54) CYP3A4TSHRALDH1A1KMT2AMEN1
SCHEMBL8136787 0.77 TSHR (0.41) CYP3A4TSHRALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 US claimed
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION 2021-08-12 US claimed
WO-2021158366-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION (US) 2021-08-12 WO claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
US-20250388592-A1 (AZA)SPIROHEPTANE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2025-12-25 US disclosed
EP-4568968-A1 (AZA)SPIROHEPTANE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Remynd N.V. (BE) 2025-06-18 EP disclosed
CN-115066417-B Factor XIa inhibitors 上海京新生物医药有限公司 2025-05-02 CN disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 US disclosed
EP-0153127-B1 N-ARYL-3-ARYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDES, PROCESSES FOR THEIR PRODUCTION, INSECTICIDAL COMPOSITIONS CONTAINING THEM AND METHODS FOR COMBATTING INSECTS ROHM AND HAAS COMPANY (US) 1991-04-03 EP disclosed
US-4996208-A Pesticidal thiazolopyrimidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-26 US disclosed
US-4863947-A PESTICIDES, INSECTICIDES ROHM AND HAAS (US) 1989-09-05 US disclosed
US-4837220-A Insecticidal 3-substituted 4-fluorophenyl-1-(fluoroalkoxyphenylcarbamoyl)-pyrazolines SCHERING AKT. (DE) 1989-06-06 US disclosed
EP-0267869-A1 Insecticidal 3-substituted 4-fluorophenyl-1-(fluoroalkoxy-phenyl-carbamoyl)-pyrazolines SCHERING AKTIENGESELLSCHAFT (DE) 1988-05-18 EP disclosed
US-4663341-A Insecticidal n-aryl-3-aryl-4,5-dihydro-1h-pyrazole-1-carboxamides ROHM AND HAAS COMPANY (US) 1987-05-05 US disclosed
EP-0153127-A2 N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides, processes for their production, insecticidal compositions containing them and methods for combatting insects ROHM AND HAAS COMPANY (US) 1985-08-28 EP disclosed
US-4140792-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 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 (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-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds SIRT3, SLC6A12, HCN2 DRD1 2714/4885CYP3A4 4039/4885TSHR 4711/4885
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS SIRT3, SLC6A12, HCN2 DRD1 2714/4885CYP3A4 4039/4885TSHR 4711/4885
US-20250388592-A1 (AZA)SPIROHEPTANE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SNCA, CHRNA6, CHRNA5 DRD1 902/4885CYP3A4 1132/4885TSHR 1240/4885

“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.