SCHEMBL256705

SCHEMBL256705

CC/C=C/c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 1/20 0.48
CYP2D6 P10635 1/20 0.42
POLB P06746 1/20 0.42
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
TSHR P16473 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
LMNA P02545 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE2A O00408 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 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
SCHEMBL27616402 1.00 GRIK1 (0.48) GRIK1GRIK2CYP2D6POLBKDM1A
SCHEMBL15933248 0.86 GRIK1 (0.46) GRIK1GRIK2CYP2D6POLBKDM1A
SCHEMBL13790221 0.82 CYP2D6 (0.50) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL2092948 0.81 GRIK1 (0.51) GRIK1GRIK2CYP2D6POLBPIM1
SCHEMBL74114 0.81 GRIK1 (0.48) GRIK1GRIK2CYP2D6POLBKDM1A
SCHEMBL4078920 0.81 GRIK1 (0.51) GRIK1GRIK2CYP2D6POLBPIM1
SCHEMBL9060664 0.81 TSHR (0.49) GRIK1GRIK2CYP2D6POLBKDM1A
SCHEMBL4078921 0.81 GRIK1 (0.51) GRIK1GRIK2CYP2D6POLBPIM1
SCHEMBL9060653 0.81 TSHR (0.49) GRIK1GRIK2CYP2D6POLBKDM1A
SCHEMBL2092951 0.81 GRIK1 (0.51) GRIK1GRIK2CYP2D6POLBPIM1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
US-8110684-B2 Diaza-spiro [4.5] decanes useful as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-8110684-B2 Diaza-spiro [4.5] decanes useful as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-20100227862-A1 DIAZA-SPIRO [4.5] DECANES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-09-09 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 GRIK1 1569/4885GRIK2 2113/4885CYP2D6 817/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 GRIK1 463/4885GRIK2 258/4885CYP2D6 743/4885
US-20100227862-A1 DIAZA-SPIRO [4.5] DECANES USEFUL AS PESTICIDES DDT, CHRM1, DECR1 GRIK1 2088/4885GRIK2 3378/4885CYP2D6 769/4885

“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.