SCHEMBL2090255

SCHEMBL2090255

C[CH]OC(=O)N(c1ccccc1)c1cccc(I)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM4 P08173 4/20 0.39
CHRM3 P20309 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
PTGIR P43119 3/20 0.36
CHRM2 P08172 1/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN2A Q99250 1/20 0.35
MAOB P27338 2/20 0.35
PTGDR Q13258 2/20 0.35
TRPM8 Q7Z2W7 3/20 0.34
HTR2C P28335 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL2090596 0.82 PTGIR (0.49) ATMTDP1L3MBTL1CHRM4CHRM3
SCHEMBL2092432 0.82 SCN2A (0.45) L3MBTL1NPSR1MEN1KMT2ASCN2A
SCHEMBL2090258 0.79 PTGIR (0.46) ATMTDP1L3MBTL1NPSR1PTGIR
SCHEMBL2095057 0.79 PTGIR (0.44) ATMTDP1L3MBTL1NPSR1PTGIR
SCHEMBL2090034 0.78 L3MBTL1 (0.44) ATMTDP1L3MBTL1CHRM4CHRM3
SCHEMBL2095831 0.77 NPSR1 (0.48) ATMTDP1L3MBTL1NPSR1MEN1
SCHEMBL2095825 0.76 NPSR1 (0.47) ATMTDP1L3MBTL1NPSR1MEN1
SCHEMBL2094643 0.73 ATM (0.41) ATMTDP1L3MBTL1CHRM4CHRM3
SCHEMBL2090908 0.72 PTGIR (0.50) ATMTDP1L3MBTL1CHRM4CHRM3
SCHEMBL2090172 0.72 L3MBTL1 (0.40) ATMTDP1L3MBTL1CHRM4CHRM3

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 ATM 4071/4885TDP1 4548/4885L3MBTL1 2575/4885

“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.