SCHEMBL2093665

SCHEMBL2093665

FC(F)(F)Oc1ccc(CN2CCC[N]CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
TSHR P16473 1/20 0.61
KCNH2 Q12809 1/20 0.50
TEAD1 P28347 2/20 0.49
SLC6A4 P31645 4/20 0.49
SLC6A3 Q01959 4/20 0.49
BCHE P06276 3/20 0.49
ACHE P22303 3/20 0.49
BACE1 P56817 3/20 0.49
LSS P48449 1/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
PHGDH O43175 1/20 0.44
NAMPT P43490 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
SCHEMBL2089924 0.94 ALDH1A1 (0.68) ALDH1A1TSHRKCNH2TEAD1SLC6A4
SCHEMBL2089800 0.89 ALDH1A1 (0.48) ALDH1A1TSHRKCNH2TEAD1SLC6A4
SCHEMBL2093659 0.86 SLC6A4 (0.60) ALDH1A1TSHRSLC6A4SLC6A3ACHE
SCHEMBL24478089 0.85 ALDH1A1 (0.71) ALDH1A1TSHRKCNH2SLC6A4SLC6A3
SCHEMBL2096865 0.84 SLC6A4 (0.57) ALDH1A1TSHRSLC6A4SLC6A3ACHE
SCHEMBL2090130 0.84 CHRM3 (0.48) ALDH1A1TSHRKDM4E
SCHEMBL2095427 0.83 SLC6A4 (0.56) ALDH1A1TSHRSLC6A4SLC6A3ACHE
SCHEMBL2093785 0.82 ALDH1A1 (0.52) ALDH1A1TSHRKCNH2TEAD1BCHE
SCHEMBL2089247 0.82 SLC6A4 (0.55) ALDH1A1TSHRSLC6A4SLC6A3ACHE
SCHEMBL2091060 0.82 SLC6A4 (0.55) ALDH1A1TSHRSLC6A4SLC6A3ACHE

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 ALDH1A1 412/4885TSHR 162/4885KCNH2 3121/4885

“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.