SCHEMBL2093785

SCHEMBL2093785

FC(F)(F)C(F)(F)Oc1ccc(CN2CC[N]CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.43
TEAD1 P28347 2/20 0.43
BCHE P06276 3/20 0.42
ACHE P22303 3/20 0.42
BACE1 P56817 3/20 0.42
LSS P48449 1/20 0.42
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PHGDH O43175 1/20 0.38

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
SCHEMBL2089800 0.94 ALDH1A1 (0.48) ALDH1A1TSHRLMNATEAD1BCHE
SCHEMBL2089924 0.88 ALDH1A1 (0.68) ALDH1A1TSHRLMNATEAD1BCHE
SCHEMBL2099074 0.83 SIGMAR1 (0.46) ALDH1A1KDM4ESIGMAR1
SCHEMBL2093665 0.82 ALDH1A1 (0.61) ALDH1A1TSHRLMNATEAD1BCHE
SCHEMBL16480077 0.79 HRH3 (0.58) ALDH1A1TSHRLMNATEAD1BCHE
SCHEMBL2088838 0.79 ALDH1A1 (0.45) ALDH1A1KDM4ESIGMAR1SMN1; SMN2
SCHEMBL2091992 0.76 ALDH1A1 (0.51) ALDH1A1TSHRBCHEACHEBACE1
SCHEMBL14708207 0.76 TSHR (0.53) ALDH1A1TSHRLMNATEAD1BCHE
SCHEMBL2097422 0.76 KDM4E (0.69) ALDH1A1BCHEACHEBACE1KDM4E
SCHEMBL2088471 0.76 SIGMAR1 (0.67) ALDH1A1LMNAKDM4EHRH3SIGMAR1

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 3 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

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 162/4885LMNA 4594/4885

“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.