SCHEMBL2093709

SCHEMBL2093709

[O]c1ccc2c(c1)CCN(Cc1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.59
TNF P01375 1/20 0.57
NOD2 Q9HC29 1/20 0.57
NOD1 Q9Y239 1/20 0.57
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.50
ABCB1 P08183 2/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KMT2A Q03164 1/20 0.45
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD4 P21917 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL2095548 0.84 ACACB (0.57) ACACBTNFNOD2NOD1ALDH1A1
SCHEMBL1264249 0.81 TNF (0.66) ACACBTNFNOD2NOD1KMT2A
SCHEMBL2098334 0.80 ACACB (0.54) ACACBTNFNOD2NOD1ALDH1A1
SCHEMBL29500296 0.78 ACACB (0.52) ACACBTNFNOD2NOD1ALDH1A1
SCHEMBL28415949 0.78 TNF (0.59) ACACBTNFNOD2NOD1ALDH1A1
SCHEMBL15435212 0.77 MOGAT2 (0.61) ACACBTNFNOD2NOD1ABCB1
SCHEMBL29500331 0.77 ACACB (0.51) ACACBTNFNOD2NOD1ALDH1A1
SCHEMBL17585160 0.75 ACACB (1.00) ACACB
SCHEMBL2094308 0.75 HDAC1 (0.47) ALDH1A1TSHR
SCHEMBL12625981 0.74 ALDH1A1 (0.66) ACACBTNFNOD2NOD1ALDH1A1

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 ACACB 881/4885TNF 3236/4885NOD2 3887/4885

“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.