SCHEMBL2094975

SCHEMBL2094975

[CH2]CCCOC(=O)N(c1ccccc1)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGIR P43119 6/20 0.36
PTGDR Q13258 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM3 P20309 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
PTGER1 P34995 1/20 0.32

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
SCHEMBL2091077 0.81 TDP1 (0.47) TDP1ATML3MBTL1PTGIRPTGDR
SCHEMBL2096834 0.79 PTGIR (0.44) TDP1ATML3MBTL1PTGIRPTGDR
SCHEMBL2095968 0.78 TDP1 (0.40) TDP1ATML3MBTL1PTGIRPTGDR
SCHEMBL2089370 0.78 PTGIR (0.51) TDP1ATML3MBTL1PTGIRPTGDR
SCHEMBL2095029 0.76 ALDH1A1 (0.39) TDP1ATML3MBTL1PTGIRPTGDR
SCHEMBL2096119 0.76 NPSR1 (0.37) TDP1ATML3MBTL1PTGIRPTGDR
SCHEMBL2092943 0.76 PTGIR (0.53) TDP1ATML3MBTL1PTGIRPTGDR
SCHEMBL16965819 0.76 TDP1 (0.55) TDP1ATML3MBTL1PTGIRPTGDR
SCHEMBL2093064 0.75 NPSR1 (0.37) PTGIRPTGDRNPSR1CHRNB2CHRNB4
SCHEMBL2096403 0.74 PTGIR (0.38) TDP1PTGIRPTGDRNPSR1CHRM3

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 TDP1 4548/4885ATM 4071/4885L3MBTL1 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.