SCHEMBL2094032

SCHEMBL2094032

CC1CC(C)c2ccccc2[N]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.48
NOS3 P29474 3/20 0.48
NOS2 P35228 3/20 0.48
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM1A O60341 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KDM1B Q8NB78 1/20 0.32
RAB9A P51151 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
NOTUM Q6P988 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL413656 0.73 ALDH1A1 (0.43) NOS1NOS3NOS2ALDH1A1MEN1
SCHEMBL30298332 0.73 ALDH1A1 (0.43) NOS1NOS3NOS2ALDH1A1MEN1
SCHEMBL8038863 0.72 CA1 (0.41) NOS1NOS3NOS2KDM1AHTR2A
SCHEMBL5548224 0.71 NOS1 (0.50) NOS1NOS3NOS2ALDH1A1HTR2A
SCHEMBL8038865 0.71 NOS3 (0.37) NOS1NOS3NOS2ALDH1A1MEN1
Bromide SCHEMBL28348255 0.71 ALDH1A1 (0.42) NOS1NOS3NOS2ALDH1A1MEN1
SCHEMBL13604087 0.70 NOS1 (0.48) NOS1NOS3NOS2ALDH1A1KDM1A
SCHEMBL28266107 0.70 NOS1 (0.48) NOS1NOS3NOS2ALDH1A1KDM1A
SCHEMBL6865922 0.68 NOS3 (0.38) NOS1NOS3NOS2MEN1KMT2A
SCHEMBL6869987 0.68 NOS1 (0.47) NOS1NOS3NOS2ALDH1A1HTR2A

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 NOS1 882/4885NOS3 1031/4885NOS2 654/4885

“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.