SCHEMBL2094596

SCHEMBL2094596

[CH2]Cc1scc2ccc(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.39
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
CA2 P00918 1/20 0.32
NR4A2 P43354 2/20 0.32
ROCK1 Q13464 1/20 0.31
CHEK1 O14757 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL2090661 0.85 CYP2A6 (0.35) CYP2A6KEAP1NFE2L2NR4A2KDM4E
SCHEMBL2093108 0.80 CYP2A6 (0.33) CYP2A6KEAP1NFE2L2
SCHEMBL2089506 0.78 CYP1A2 (0.33) CYP2A6CA2
SCHEMBL2094558 0.76 CYP2A6 (0.42) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL2095050 0.72 ALDH1A1 (0.35) CYP2A6KDM4EALDH1A1
SCHEMBL5545094 0.71 CYP2A6 (0.33) CYP2A6KEAP1NFE2L2KDM4E
SCHEMBL2094560 0.71 CYP2A6 (0.50) CYP2A6KEAP1NFE2L2SMN1; SMN2NR4A2
SCHEMBL5547712 0.69 CYP2A6 (0.32) CYP2A6
SCHEMBL5540132 0.68 CYP2A6 (0.31) CYP2A6
SCHEMBL2095295 0.67 CYP2A6 (0.30) CYP2A6

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
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

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 1153/4885KEAP1 2214/4885NFE2L2 418/4885

“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.