SCHEMBL2089239

SCHEMBL2089239

NCc1cccc(C(F)(F)C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
KIF11 P52732 3/20 0.51
MAOB P27338 2/20 0.49
IDO1 P14902 2/20 0.46
PNMT P11086 1/20 0.45
ENPP2 Q13822 1/20 0.45
LOXL2 Q9Y4K0 3/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
PRMT6 Q96LA8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
ACP3 P15309 1/20 0.40

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
SCHEMBL39655 0.83 TAAR1 (0.71) TAAR1KIF11MAOBIDO1PNMT
SCHEMBL29463258 0.83 TAAR1 (0.71) TAAR1KIF11MAOBIDO1PNMT
SCHEMBL25112970 0.82 TAAR1 (0.46) TAAR1KIF11MAOBIDO1PNMT
Hydrochloric Acid SCHEMBL11220775 0.82 TAAR1 (0.69) TAAR1KIF11MAOBIDO1HTR2A
Iodide SCHEMBL11221836 0.82 TAAR1 (0.69) TAAR1KIF11MAOBIDO1PNMT
Hydrochloric Acid SCHEMBL26616857 0.82 TAAR1 (0.69) TAAR1KIF11MAOBIDO1HTR2A
SCHEMBL14339435 0.82 KIF11 (0.47) TAAR1KIF11IDO1HTR2AHTR2C
Bromide SCHEMBL11233006 0.82 TAAR1 (0.69) TAAR1KIF11MAOBIDO1PNMT
Bromide SCHEMBL31513704 0.82 TAAR1 (0.69) TAAR1KIF11MAOBIDO1PNMT
SCHEMBL8097447 0.81 TAAR1 (0.49) TAAR1KIF11MAOBIDO1PNMT

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 TAAR1 163/4885KIF11 3992/4885MAOB 1654/4885

“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.