SCHEMBL2095063

SCHEMBL2095063

[CH2]Oc1cc(CC=C)c(CC=C)c(CC=C)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
POLB P06746 3/20 0.35
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2095065 0.81 ALDH1A1 (0.48) GABRA1GABRB2POLBCYP3A4ALOX15
SCHEMBL2096399 0.77 ALDH1A1 (0.39) GABRA1GABRB2POLBCYP3A4ALOX15
SCHEMBL9066208 0.75 XDH (0.40) GABRA1GABRB2POLBCYP3A4ALOX15
SCHEMBL7845606 0.75 GABRA1 (0.39) GABRA1GABRB2POLBCYP3A4ALOX15
SCHEMBL6278626 0.74 GABRA1 (0.41) GABRA1GABRB2POLBCYP3A4ALOX15
SCHEMBL11261841 0.73 GABRA1 (0.47) GABRA1GABRB2POLBALDH1A1
SCHEMBL7856388 0.71 GABRA1 (0.36) GABRA1GABRB2POLBCYP3A4ALOX15
SCHEMBL28963046 0.70 GABRA1 (0.35) GABRA1GABRB2POLBCYP3A4ALOX15
SCHEMBL5486977 0.68 GABRA1 (0.38) GABRA1GABRB2POLBCYP3A4ALOX15
SCHEMBL5178926 0.68 GABRA1 (0.47) GABRA1GABRB2POLBALDH1A1

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 GABRA1 223/4885GABRB2 149/4885POLB 757/4885

“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.