SCHEMBL2089863

SCHEMBL2089863

COC(=O)Nc1cccc(OC(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 2/20 0.60
FAAH O00519 1/20 0.60
CYP3A4 P08684 1/20 0.60
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
STAT1 P42224 1/20 0.50
HTT P42858 1/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
POLB P06746 1/20 0.49
TP53 P04637 2/20 0.49
TSHR P16473 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL2089860 0.88 LMNA (0.47) ALDH1A1MAPK1FAAHCYP3A4NPC1
SCHEMBL2094767 0.86 NPC1 (0.63) ALDH1A1MAPK1FAAHCYP3A4NPC1
SCHEMBL2094829 0.85 LMNA (0.50) ALDH1A1MAPK1FAAHCYP3A4NPC1
SCHEMBL10294088 0.85 MTNR1A (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2094834 0.85 LMNA (0.50) ALDH1A1MAPK1FAAHCYP3A4NPC1
SCHEMBL2093688 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1FAAHCYP3A4NPC1
SCHEMBL2096261 0.83 TP53 (0.68) ALDH1A1MAPK1FAAHCYP3A4NPC1
SCHEMBL10294095 0.81 MTNR1B (0.58) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL10294097 0.81 MTNR1B (0.58) ALDH1A1CYP3A4RAB9ALMNAHTT
SCHEMBL716889 0.80 MAPK1 (0.62) ALDH1A1MAPK1FAAHCYP3A4NPC1

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 ALDH1A1 412/4885MAPK1 2105/4885FAAH 3448/4885

“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.