SCHEMBL2092985

SCHEMBL2092985

[CH2]OCCCCCCc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
MTNR1A P48039 2/20 0.42
SLC16A3 O15427 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNA3 P22001 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MCL1 Q07820 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
SCHEMBL5013367 0.98 NQO2 (0.45) NQO2GPR84SIGMAR1CYP1A2CYP2C19
SCHEMBL2094192 0.93 NQO2 (0.46) NQO2GPR84SIGMAR1CYP1A2CYP2C19
SCHEMBL3779748 0.85 CYP1A2 (0.48) NQO2CYP1A2CYP2C19CYP2C9MTNR1A
SCHEMBL9800436 0.83 CYP1A2 (0.58) NQO2GPR84SIGMAR1CYP1A2CYP2C19
SCHEMBL2092988 0.83 CYP1A2 (0.44) NQO2GPR84SIGMAR1CYP1A2CYP2C19
SCHEMBL5013370 0.81 CYP1A2 (0.46) NQO2GPR84SIGMAR1CYP1A2CYP2C19
SCHEMBL303785 0.80 CYP1A2 (0.47) NQO2GPR84SIGMAR1CYP1A2CYP2C19
SCHEMBL304716 0.80 CYP1A2 (0.47) NQO2GPR84SIGMAR1CYP1A2CYP2C19
SCHEMBL303705 0.80 CYP1A2 (0.47) NQO2GPR84SIGMAR1CYP1A2CYP2C19
SCHEMBL303906 0.80 CYP1A2 (0.47) NQO2GPR84SIGMAR1CYP1A2CYP2C19

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 NQO2 27/4885GPR84 372/4885SIGMAR1 161/4885

“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.