SCHEMBL2091909

SCHEMBL2091909

FC(F)(F)C(F)(F)Oc1ccccc1NC1CC[N]CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
EPHX2 P34913 2/20 0.35
GAA P10253 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
SCD O00767 1/20 0.33
AGER Q15109 1/20 0.32
DRD2 P14416 1/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TLR7 Q9NYK1 1/20 0.31
ULK1 O75385 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2093417 0.88 DDB1 (0.50) DDB1CRBNEPHX2GAAKDM4E
SCHEMBL2090904 0.77 RAB9A (0.49) GAAMAPTDRD2HPGDRAB9A
SCHEMBL2098450 0.75 GALR2 (0.40) EPHX2KDM4E
SCHEMBL5539025 0.75 ME3 (0.43) DDB1CRBNGAAKDM4EMAPT
SCHEMBL2095041 0.75 SCD (0.42) GAAKDM4EMAPTSCDTLR7
SCHEMBL2090803 0.74 SCD (0.53) GAAKDM4EMAPTSCDSMN1; SMN2
SCHEMBL2093418 0.74 GALR2 (0.37) EPHX2MAPTNPC1TSHRALDH1A1
SCHEMBL2094800 0.72 GAA (0.53) GAAKDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL2087914 0.68 MAPT (0.41) GAAKDM4EMAPTHPGDRAB9A
SCHEMBL2092342 0.68 KMT2A (0.45) GAAKDM4EMAPTRAB9ASMN1; SMN2

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 5 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
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
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
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

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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 DDB1 971/4885CRBN 3418/4885EPHX2 3472/4885

“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.