SCHEMBL2095369

SCHEMBL2095369

Brc1[c]cc2ccoc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DYRK1A Q13627 2/20 0.32
HTR1B P28222 2/20 0.31
EPM2A O95278 1/20 0.31
PTPRC P08575 1/20 0.31
PTPN6 P29350 1/20 0.31
CDC14A Q9UNH5 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
CDK9 P50750 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
SCHEMBL4461777 0.75 CYP2A6 (0.36) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL27968676 0.75 CYP2A6 (0.36) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL4475506 0.75 CYP2A6 (0.36) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL4471575 0.75 CYP2A6 (0.36) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL4470606 0.71 CYP3A4 (0.35) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL18936187 0.71 CYP2A6 (0.46) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL2149910 0.69 CYP2A6 (0.54) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL29329001 0.69 CYP2A6 (0.45) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL21295854 0.67 DYRK1A (0.51) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL103816 0.67 CYP2A6 (0.44) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9

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 CYP2A6 1153/4885KDM4E 4578/4885CYP3A4 1734/4885

“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.