SCHEMBL2094836

SCHEMBL2094836

[CH2]OC(=O)Nc1ccccc1C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GRIK1 P39086 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.37

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
SCHEMBL514341 0.87 POLB (0.55) POLBLMNAKMT2AMEN1KDM4E
SCHEMBL2094839 0.85 LMNA (0.47) POLBLMNAKMT2AMEN1KDM4E
SCHEMBL2097517 0.83 POLB (0.40) POLBLMNAKMT2AMEN1KDM4E
SCHEMBL5540154 0.81 POLB (0.43) POLBLMNAKMT2AMEN1KDM4E
SCHEMBL2090450 0.81 CYP1A2 (0.39) POLBLMNAKMT2AMEN1KDM4E
SCHEMBL2090895 0.80 LPAR1 (0.49) POLBLMNAKMT2AKDM4EGAA
SCHEMBL2095027 0.80 POLB (0.44) POLBLMNAKMT2AMEN1KDM4E
SCHEMBL2095028 0.80 POLB (0.47) POLBLMNAKMT2AMEN1KDM4E
SCHEMBL5540157 0.78 ALDH1A1 (0.52) POLBKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL5546374 0.77 POLB (0.50) POLBKMT2AMEN1KDM4ESMN1; SMN2

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 POLB 757/4885LMNA 4594/4885KMT2A 3324/4885

“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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