SCHEMBL514131

SCHEMBL514131

O=COc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
MAOB P27338 1/20 0.43
AOC3 Q16853 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
KIF11 P52732 1/20 0.41
GPR3 P46089 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
NOTUM Q6P988 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 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
SCHEMBL2091697 0.83 PIM1 (0.33) EPHX2PIM1PIM2MAOBAOC3
SCHEMBL2093876 0.82 GPR3 (0.35) EPHX2PIM1PIM2MAOBAOC3
SCHEMBL6454577 0.80 ALDH1A1 (0.38) CA12CA9KDM4E
SCHEMBL254957 0.80 MAPT (0.56) EPHX2PIM1PIM2MAOBAOC3
SCHEMBL2091935 0.79 CHRM2 (0.47) PIM1PIM2MAPTGAAKIF11
SCHEMBL30214321 0.79 CHRM2 (0.47) PIM1PIM2MAPTGAAKIF11
SCHEMBL535404 0.77 MAPT (0.42) EPHX2PIM1PIM2MAOBAOC3
SCHEMBL7658787 0.77 MAPT (0.42) EPHX2PIM1PIM2MAOBAOC3
SCHEMBL2090989 0.77 TDP1 (0.40) MAPTKMT2AKIF11KDM4ECYP2D6
SCHEMBL513897 0.77 CA1 (0.48) PIM1PIM2MAOBAOC3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354297-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDAL AND ACARICIDAL AGENTS COMPRISING THE THIADIAZINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-08-05 EP 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
EP-2719688-B1 Process for producing tetrazolyloxime derivatives NIPPON SODA CO (JP) 2016-07-20 EP disclosed
EP-2719686-B1 Process to halogenate a picoline derivative NIPPON SODA CO (JP) 2015-12-02 EP disclosed
EP-2719687-B1 Process to make a bromopicoline derivative NIPPON SODA CO (JP) 2015-09-16 EP disclosed
US-9018385-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-04-28 US disclosed
US-9012653-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-04-21 US disclosed
US-9000178-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-04-07 US disclosed
US-8962848-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-02-24 US disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1729178-A N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines FMC CORP (US) 2006-02-01 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-0354297-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDAL AND ACARICIDAL AGENTS COMPRISING THE THIADIAZINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-08-05 EP disclosed
US-5021412-A Protecting agricultural crops MITSUI TOATSU CHEMICALS, INC. (JP) 1991-06-04 US disclosed
EP-0354297-A1 Thiadiazines, process for production thereof, and insecticidal and acaricidal agents comprising the thiadiazines MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-02-14 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 EPHX2 3662/4885PIM1 3129/4885PIM2 2557/4885

“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.