SCHEMBL2090822

SCHEMBL2090822

[CH2]c1ccc(-c2ccc(F)c(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 2/20 0.44
NTRK1 P04629 2/20 0.44
PIM1 P11309 2/20 0.44
FLT3 P36888 2/20 0.44
GSK3B P49841 2/20 0.44
ROCK1 Q13464 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
PTGS2 P35354 4/20 0.42
PTGS1 P23219 2/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
KCNH2 Q12809 3/20 0.39
AURKA O14965 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 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
SCHEMBL518461 0.81
SCHEMBL5762155 0.80 ACHE (0.48) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL6296173 0.79 CYP17A1 (0.47) HSD17B1HSD17B2
SCHEMBL2095810 0.79 MCL1 (0.42) PTGS2PTGS1HSD17B1HSD17B2ALDH1A1
SCHEMBL11689482 0.78 ESR2 (0.50) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL29434804 0.78 ESR2 (0.50) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL13036074 0.77 CYP17A1 (0.50) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL5327942 0.77 DAPK3 (0.42) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL11692690 0.75 DYRK1A (0.50) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL19237550 0.75 DAPK3 (0.41) DAPK3NTRK1PIM1FLT3GSK3B

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 DAPK3 1512/4885NTRK1 416/4885PIM1 3429/4885

“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.