SCHEMBL2094558

SCHEMBL2094558

[CH2]c1scc2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.42
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CHEK1 O14757 1/20 0.34
AHR P35869 2/20 0.33
CMA1 P23946 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NR4A2 P43354 1/20 0.31
NOS1 P29475 1/20 0.31
DYRK1A Q13627 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
SCHEMBL2093202 0.83 CYP2A6 (0.38) CYP2A6KEAP1NFE2L2AHRTP53
SCHEMBL2094560 0.77 CYP2A6 (0.50) CYP2A6KEAP1NFE2L2CHEK1SMN1; SMN2
SCHEMBL2094596 0.76 CYP2A6 (0.39) CYP2A6KEAP1NFE2L2CHEK1SMN1; SMN2
SCHEMBL2091616 0.74 CYP1A2 (0.38) CYP2A6AHRTP53CA2KDM4E
SCHEMBL2093937 0.74 CYP2A6 (0.39) CYP2A6CHEK1AHRCA2KDM4E
SCHEMBL9786085 0.71 CYP2A6 (0.44) CYP2A6KEAP1NFE2L2CHEK1TP53
SCHEMBL5411000 0.70 CYP2A6 (0.52) CYP2A6CHEK1AHRCMA1TP53
SCHEMBL29967989 0.70 CYP2A6 (0.52) CYP2A6CHEK1AHRCMA1TP53
SCHEMBL3224597 0.70 CYP2A6 (0.43) CYP2A6KEAP1NFE2L2CA2KDM4E
SCHEMBL2093108 0.69 CYP2A6 (0.33) CYP2A6KEAP1NFE2L2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4281456-A1 NOVEL BICYCLIC COMPOUNDS PRISM BioLab Co., Ltd. (JP) 2023-11-29 EP disclosed
US-20230374034-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-11-23 US disclosed
WO-2023200017-A1 NOVEL SEVEN-MEMBERED RING-FUSED COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-10-19 WO disclosed
CN-116710455-A Novel bicyclic compounds 株式会社棱镜生物实验室 2023-09-05 CN disclosed
US-20230265104-A1 NOVEL HETEROCYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-08-24 US disclosed
EP-4225760-A1 NOVEL BICYCLIC COMPOUNDS PRISM BioLab Co., Ltd. (JP) 2023-08-16 EP disclosed
CN-116348119-A Novel bicyclic compounds 株式会社棱镜生物实验室 2023-06-27 CN disclosed
EP-4182317-A1 NOVEL HETEROCYCLIC COMPOUNDS PRISM BioLab Co., Ltd. (JP) 2023-05-24 EP disclosed
CN-116018345-A Novel heterocyclic compounds 株式会社棱镜生物实验室 2023-04-25 CN disclosed
WO-2022075486-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2022-04-14 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
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
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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US 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
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (4 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-20230374034-A1 NOVEL BICYCLIC COMPOUNDS NOTCH1, NOTCH2, HES1 CYP2A6 3870/4885KEAP1 263/4885NFE2L2 298/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP2A6 1119/4885KEAP1 1764/4885NFE2L2 846/4885
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
US-20230265104-A1 NOVEL HETEROCYCLIC COMPOUNDS MKI67, CCNI, KRAS CYP2A6 3211/4885KEAP1 1090/4885NFE2L2 1436/4885

“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.