SCHEMBL2089138

SCHEMBL2089138

O=CC/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
PYGL P06737 11/20 0.53
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
CHAT P28329 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44
GUSB P08236 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL2096810 1.00 ALDH1A1 (0.57) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL2092118 0.83 ALDH1A1 (0.38) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL11044757 0.82 ALDH1A1 (0.50) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL2092419 0.82 ALDH1A1 (0.54) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL2092421 0.82 ALDH1A1 (0.54) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL4168798 0.79 ALDH1A1 (0.50) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL4168803 0.79 ALDH1A1 (0.50) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL2094465 0.79 KMT2A (0.44) ALDH1A1
SCHEMBL5540657 0.78 ALDH1A1 (0.50) ALDH1A1PYGLGRIK1GRIK2CHAT
SCHEMBL5540658 0.78 ALDH1A1 (0.50) ALDH1A1PYGLGRIK1GRIK2CHAT

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 ALDH1A1 412/4885PYGL 4459/4885GRIK1 463/4885

“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.