SCHEMBL5548041

SCHEMBL5548041

FC(F)(F)[N]Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TRPA1 O75762 2/20 0.43
CYP3A4 P08684 2/20 0.43
MIF P14174 1/20 0.43
HPGD P15428 1/20 0.43
GRIN2B Q13224 5/20 0.42
CES1 P23141 1/20 0.40
CALM1 P0DP23 1/20 0.39
GRIN1 Q05586 3/20 0.39
NOS2 P35228 1/20 0.39
EPHX2 P34913 1/20 0.37
TSHR P16473 4/20 0.36
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL3092125 0.76
SCHEMBL2776888 0.75 CYP3A4 (0.48) ALDH1A1TRPA1CYP3A4MIFHPGD
SCHEMBL1653 0.72 ALDH1A1 (0.55) ALDH1A1TRPA1CYP3A4MIFHPGD
SCHEMBL622351 0.70
SCHEMBL4589447 0.70 GRIN2B (0.42) ALDH1A1TRPA1CYP3A4MIFHPGD
SCHEMBL8631737 0.70 CYP3A4 (0.43) ALDH1A1TRPA1CYP3A4MIFHPGD
SCHEMBL27393645 0.70 MAPT (0.41) ALDH1A1TRPA1CYP3A4MIFHPGD
SCHEMBL19611522 0.69 ALDH1A1 (0.52) ALDH1A1TRPA1CYP3A4MIFHPGD
SCHEMBL17178869 0.69 ALDH1A1 (0.52) ALDH1A1TRPA1CYP3A4MIFHPGD
Hydrogen Sulfide SCHEMBL5079696 0.69 ALDH1A1 (0.52) ALDH1A1TRPA1CYP3A4MIFHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
EP-3717475-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2023-06-07 EP disclosed
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-01-10 US disclosed
CN-111936490-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2020-11-13 CN disclosed
US-20200306257-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2020-10-01 US disclosed
US-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2015-10-01 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
WO-2002082901-A1 MICROENCAPSULATING OF AN AGRICULTURAL ACTIVE HAVING A HIGH MELTING POINT MONSANTO TECHNOLOGY, LLC (US) 2002-10-24 WO disclosed
EP-0923562-B1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 2002-10-09 EP disclosed
US-6444616-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
US-6130225-A Substituted p-trifluoromethylphenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
US-4794111-A Dihydropyridine preparations containing β-blockers BAYER AKTIENGESELLSCHAFT (DE) 1988-12-27 US disclosed
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 EP disclosed
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 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-20200306257-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 ALDH1A1 4750/4885TRPA1 3202/4885CYP3A4 4719/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885TRPA1 3038/4885CYP3A4 1683/4885
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use MAP3K20, MAP3K1, PACSIN2 ALDH1A1 4750/4885TRPA1 3202/4885CYP3A4 4719/4885
US-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 ALDH1A1 3199/4885TRPA1 100/4885CYP3A4 311/4885

“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.