SCHEMBL2094560

SCHEMBL2094560

Cc1scc2ccc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.50
ROCK1 Q13464 1/20 0.37
POLB P06746 1/20 0.36
TYMS P04818 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
NR4A2 P43354 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CHEK1 O14757 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3224597 0.91 CYP2A6 (0.43) CYP2A6TYMSLMNAGAACYP1A2
SCHEMBL2093207 0.83 CYP2A6 (0.46) CYP2A6ROCK1POLBLMNAALDH1A1
SCHEMBL8404418 0.78 CYP1A2 (0.48) CYP2A6LMNAALDH1A1GAACYP1A2
SCHEMBL9786085 0.77 CYP2A6 (0.44) CYP2A6ROCK1TYMSLMNAGAA
SCHEMBL2094558 0.77 CYP2A6 (0.42) CYP2A6NR4A2KEAP1NFE2L2CHEK1
SCHEMBL13701012 0.75 MCL1 (0.39) CYP3A4CYP1A2
SCHEMBL2091623 0.75 CYP1A2 (0.37) CYP2A6TYMSCYP1A2KEAP1NFE2L2
SCHEMBL2094615 0.75 TYMS (0.36) TYMS
SCHEMBL2094596 0.71 CYP2A6 (0.39) CYP2A6ROCK1ALDH1A1NR4A2KEAP1
SCHEMBL5411000 0.69 CYP2A6 (0.52) CYP2A6TYMSLMNAALDH1A1CYP3A4

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 28 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
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
US-7608595-B2 4''-deoxy-4''-(S) N-methyl-methoxycarbonylamino-avermectin; pesticide; crop protection MERIAL LIMITED (US) 2009-10-27 US disclosed
US-7608595-B2 4''-deoxy-4''-(S) N-methyl-methoxycarbonylamino-avermectin; pesticide; crop protection MERIAL LIMITED (US) 2009-10-27 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 3870/4885ROCK1 817/4885POLB 4479/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP2A6 1119/4885ROCK1 2494/4885POLB 1637/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CYP2A6 1153/4885ROCK1 3667/4885POLB 757/4885
US-20230265104-A1 NOVEL HETEROCYCLIC COMPOUNDS MKI67, CCNI, KRAS CYP2A6 3211/4885ROCK1 437/4885POLB 2421/4885

“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.