SCHEMBL2095939

SCHEMBL2095939

FC(F)(F)C(F)(F)c1ccc(CN2CCC[N]CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ HRH3 Q9Y5N1 3/20 0.44
▸ CHKA P35790 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.41
▸ CASP1 P29466 1/20 0.40
▸ CASP4 P49662 1/20 0.40
▸ CASP5 P51878 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ CXCR4 P61073 2/20 0.39
▸ MBTD1 Q05BQ5 1/20 0.39
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL2091992 0.94 ALDH1A1 (0.51) ALDH1A1KDM4EHRH3CHKACASP1
SCHEMBL2092233 0.88 KDM4E (0.71) ALDH1A1KDM4EHRH3CHKACASP1
SCHEMBL2093118 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EGAA
SCHEMBL2097422 0.81 KDM4E (0.69) ALDH1A1KDM4ECHKACASP1CASP4
SCHEMBL2094575 0.80 HRH3 (0.52) ALDH1A1KDM4EHRH3HRH4CXCR4
SCHEMBL2089800 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHRH3
SCHEMBL2093665 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EHRH3
SCHEMBL2088672 0.78 ALDH1A1 (0.67) ALDH1A1KDM4EHRH3HRH4CXCR4
SCHEMBL2095998 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EGAA
SCHEMBL2092380 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EHRH3HRH4CXCR4

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 412/4885KDM4E 4578/4885HRH3 538/4885

“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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