SCHEMBL2099078

SCHEMBL2099078

COc1ccc([CH]c2cccc(OC)c2OC)c(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.77
CYP1A1 P04798 14/20 0.77
CYP1B1 Q16678 14/20 0.77
ALDH1A1 P00352 3/20 0.53
NFE2L2 Q16236 4/20 0.50
CYP19A1 P11511 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP4B1 P13584 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP3A5 P20815 1/20 0.47
CYP2A7 P20853 1/20 0.47

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
SCHEMBL145083 0.84 CYP1A2 (0.76) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL1590638 0.84 NFE2L2 (0.61) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1
1,2,4-Trimethoxybenzene SCHEMBL27702901 0.75 CA12 (0.72) CYP1A2CYP1A1CYP1B1ALDH1A1CYP3A4
SCHEMBL8010633 0.75 CYP1A1 (0.67) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL3300283 0.75 CYP1A2 (0.73) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL175881 0.74 CYP1A2 (0.89) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL175880 0.74 CYP1A2 (0.89) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL30135261 0.73 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL13189258 0.73 CYP1A2 (0.73) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL13169393 0.73 CYP1A2 (0.73) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2

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
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
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 CYP1A2 420/4885CYP1A1 1306/4885CYP1B1 862/4885

“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.