SCHEMBL2090130

SCHEMBL2090130

FC(F)(F)Oc1cccc(CN2CCC[N]CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.48
DRD4 P21917 2/20 0.48
OPRM1 P35372 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
DRD2 P14416 2/20 0.46
DRD1 P21728 1/20 0.46
CXCR3 P49682 1/20 0.45
PRMT6 Q96LA8 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 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
SCHEMBL2094510 0.95 DRD4 (0.52) CHRM3DRD4OPRM1ALDH1A1KDM4E
SCHEMBL2088838 0.90 ALDH1A1 (0.45) CHRM3DRD4OPRM1ALDH1A1KDM4E
SCHEMBL19206068 0.88 ALDH1A1 (0.59) CHRM3DRD4OPRM1ALDH1A1KDM4E
SCHEMBL30341053 0.86 ALDH1A1 (0.61) CHRM3DRD4OPRM1ALDH1A1KDM4E
SCHEMBL2099074 0.84 SIGMAR1 (0.46) CHRM3DRD4OPRM1ALDH1A1KDM4E
SCHEMBL2093665 0.84 ALDH1A1 (0.61) ALDH1A1KDM4ETSHR
SCHEMBL2096006 0.80 KDM4E (0.74) CHRM3ALDH1A1KDM4EGAAPRMT6
SCHEMBL2093118 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EGAAPRMT6SIGMAR1
SCHEMBL32680870 0.79 CHRM3 (0.63) CHRM3DRD4OPRM1DRD2DRD1
SCHEMBL4222828 0.79 CHRM3 (0.63) CHRM3DRD4OPRM1DRD2DRD1

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 CHRM3 1184/4885DRD4 444/4885OPRM1 950/4885

“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.