SCHEMBL2091972

SCHEMBL2091972

[CH2]COC(=O)Nc1cccc(C(F)(F)C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 2/20 0.48
XBP1 P17861 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
MGLL Q99685 4/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC3 O15379 1/20 0.41

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
SCHEMBL2091543 0.89 MAPT (0.46) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL2094340 0.89 MAPT (0.61) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL2092936 0.84 MAPT (0.48) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL2092939 0.82 SMN1; SMN2 (0.54) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL2090357 0.82 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2MGLLRAB9A
SCHEMBL5544063 0.81 MAPT (0.55) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL5536496 0.79 MAPT (0.51) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL5547889 0.79 HDAC3 (0.54) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL6003065 0.78 PDK1 (0.43) MAPTMEN1KMT2AGAAMGLL
SCHEMBL2092275 0.78 MEN1 (0.60) MAPTMEN1KMT2AGAASMN1; 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 7 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 MAPT 4299/4885MEN1 4525/4885KMT2A 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.