SCHEMBL2089172

SCHEMBL2089172

[CH2]CCCCCOC(=O)Nc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
RECQL P46063 1/20 0.41
ANPEP P15144 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL21059220 0.86 SMN1; SMN2 (0.59) BCHEACHESMN1; SMN2CYP1A2CYP2C19
SCHEMBL21059102 0.84 SMN1; SMN2 (0.60) BCHEACHESMN1; SMN2CYP1A2CYP2C19
SCHEMBL21059262 0.82 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1
SCHEMBL21059252 0.79 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1
SCHEMBL2095304 0.78 GAA (0.42) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1
SCHEMBL5597234 0.77 RAB9A (0.67) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL2091996 0.76 NPC1 (0.43) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1
SCHEMBL1188292 0.75 ALDH1A1 (0.62) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1
SCHEMBL31370710 0.75 KMT2A (0.55) RAB9ANPC1ALDH1A1LMNAHTT
SCHEMBL7475905 0.73 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1

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 BCHE 4823/4885ACHE 4734/4885SMN1; SMN2 3787/4885

“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.