SCHEMBL2094543

SCHEMBL2094543

CC(C)Oc1ccccc1C[NH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.47
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 2/20 0.41
ACHE P22303 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TACR1 P25103 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL29643214 0.81 SLC6A2 (0.44) IRAK4SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL5412735 0.81 ADRA2A (0.51) IRAK4SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL694395 0.81 SLC6A2 (0.44) IRAK4SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL3155854 0.79 SLC6A2 (0.43) IRAK4SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL2097558 0.79 IRAK4 (0.47) IRAK4SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL855754 0.79 IRAK4 (0.47) IRAK4SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL11991402 0.79 SLC6A2 (0.50) IRAK4SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL11043132 0.79 SLC6A2 (0.43) IRAK4SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL5414155 0.79 SLC6A2 (0.43) IRAK4SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL2097561 0.79 IRAK4 (0.47) IRAK4SLC6A2SLC6A4KCNH2ALDH1A1

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 IRAK4 735/4885SLC6A2 3591/4885SLC6A4 4365/4885

“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.