SCHEMBL2093290

SCHEMBL2093290

[CH2]OCc1csc2cccc(CC)c12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
ELANE P08246 1/20 0.33
CYP2A6 P11509 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
CTSG P08311 1/20 0.30
CMA1 P23946 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 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
SCHEMBL4644784 0.78 CYP2A6 (0.52) CA2CYP1A2CYP2C19ALDH1A1CYP2D6
SCHEMBL2094565 0.75 IDO1 (0.36) CA2CYP2A6
SCHEMBL2088813 0.70 CYP2A6 (0.60) CA2ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL13888151 0.70 CTSG (0.47) CA2CYP1A2CYP2C19ALDH1A1CYP2D6
SCHEMBL2092386 0.70 CYP2A6 (0.33) CYP2A6SMN1; SMN2
SCHEMBL6002815 0.69 ALDH1A1 (0.39) CA2CYP1A2CYP2C19ALDH1A1CYP2D6
SCHEMBL6003593 0.69 ALDH1A1 (0.39) CA2CYP1A2CYP2C19ALDH1A1CYP2D6
SCHEMBL2093288 0.67 SLC9A1 (0.45) ALDH1A1GABRA1GABRB2
SCHEMBL91157 0.64 CYP2A6 (0.67) CA2ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL9883945 0.61 CTSG (0.42) CA2CYP1A2CYP2C19ALDH1A1CYP2D6

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 CA2 2002/4885CYP1A2 420/4885CYP2C19 1894/4885

“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.