SCHEMBL2091129

SCHEMBL2091129

O=CCC=Cc1ccc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.39
DGAT1 O75907 1/20 0.37
ERN1 O75460 1/20 0.35
NFE2L2 Q16236 3/20 0.34
CYP2A6 P11509 1/20 0.34
MIF P14174 1/20 0.34
TLR2 O60603 1/20 0.33
PDPK1 O15530 1/20 0.32
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2089427 0.84 GPR183 (0.39) GPR183DGAT1ERN1NFE2L2CYP2A6
SCHEMBL2089425 0.84 GPR183 (0.39) GPR183DGAT1ERN1NFE2L2CYP2A6
SCHEMBL5544825 0.81 HSP90AA1 (0.38) ERN1CYP2A6NPC1
SCHEMBL2095520 0.81 NFE2L2 (0.53) NFE2L2RAB9A
SCHEMBL14416453 0.80 DGAT1 (0.38) GPR183DGAT1NFE2L2KDM1AKDM1B
SCHEMBL8291060 0.80 DGAT1 (0.38) GPR183DGAT1NFE2L2KDM1AKDM1B
SCHEMBL256040 0.80 DGAT1 (0.38) GPR183DGAT1NFE2L2KDM1AKDM1B
SCHEMBL8956862 0.80 GPR183 (0.39) GPR183DGAT1ERN1NFE2L2MIF
SCHEMBL8956869 0.80 GPR183 (0.39) GPR183DGAT1ERN1NFE2L2MIF
SCHEMBL2091125 0.79 GPR183 (0.37) GPR183DGAT1NFE2L2MIFPDPK1

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 GPR183 1367/4885DGAT1 2335/4885ERN1 2217/4885

“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.