SCHEMBL2089800

SCHEMBL2089800

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ HRH3 Q9Y5N1 7/20 0.42
▸ LMNA P02545 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ TEAD1 P28347 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ LSS P48449 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ PTGIR P43119 1/20 0.39

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
SCHEMBL2093785 0.94 ALDH1A1 (0.52) ALDH1A1TSHRKDM4EHRH3LMNA
SCHEMBL2093665 0.89 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHRH3LMNA
SCHEMBL2088838 0.85 ALDH1A1 (0.45) ALDH1A1KDM4E
SCHEMBL2089924 0.83 ALDH1A1 (0.68) ALDH1A1TSHRLMNAKCNH2TEAD1
SCHEMBL2095939 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EHRH3
SCHEMBL2092233 0.79 KDM4E (0.71) ALDH1A1KDM4EHRH3ACHEBCHE
SCHEMBL2089728 0.79 PTGIR (0.61) TSHRHRH3PTGIR
SCHEMBL2099074 0.78 SIGMAR1 (0.46) ALDH1A1KDM4E
SCHEMBL2089047 0.76 DRD2 (0.41) ALDH1A1KDM4EKCNH2SLC6A3
SCHEMBL2094575 0.76 HRH3 (0.52) ALDH1A1KDM4EHRH3

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 162/4885KDM4E 4578/4885

“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.

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