SCHEMBL2097352

SCHEMBL2097352

COCCCC(C)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A4 P31645 2/20 0.41
HTR1B P28222 1/20 0.40
NR2E1 Q9Y466 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CASR P41180 1/20 0.39
EPHX2 P34913 2/20 0.39

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
SCHEMBL2097350 0.86 AOC3 (0.42) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2093068 0.84 LMNA (0.38) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2093069 0.83 ALDH1A1 (0.39) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9572923 0.82 EPHX2 (0.38) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9572919 0.82 EPHX2 (0.38) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2125548 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6307997 0.80 HTR1B (0.45) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6301621 0.80 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1060489 0.80 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL7382719 0.80 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4

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 3 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

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 AOC3 1547/4885ALDH1A1 412/4885CYP1A2 420/4885

“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.