SCHEMBL2091304

SCHEMBL2091304

[CH2]COc1ccc(OC)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.49
S1PR4 O95977 1/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HTR2A P28223 3/20 0.44
MAPT P10636 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
ENPP2 Q13822 1/20 0.43
HPGD P15428 4/20 0.42
KCNH2 Q12809 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41

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
SCHEMBL95596 0.86 S1PR4 (0.51) MRGPRX4S1PR4SLC6A4SLC6A2SLC6A3
SCHEMBL10913701 0.85 MAPT (0.44) MRGPRX4S1PR4SLC6A4SLC6A2SLC6A3
SCHEMBL11159125 0.83 MRGPRX4 (0.50) MRGPRX4S1PR4SLC6A4SLC6A2SLC6A3
SCHEMBL2092408 0.82 CA12 (0.50) MRGPRX4S1PR4SLC6A4SLC6A2SLC6A3
SCHEMBL8539894 0.82 MAPT (0.53) MRGPRX4S1PR4SLC6A4SLC6A2SLC6A3
SCHEMBL8903264 0.81 MAPT (0.60) MRGPRX4S1PR4SLC6A4SLC6A2SLC6A3
SCHEMBL3160434 0.81 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL3165577 0.81 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL9217899 0.80 MAPT (0.54) MRGPRX4S1PR4SLC6A4SLC6A2SLC6A3
SCHEMBL197088 0.80 CA12 (0.62) MRGPRX4SLC6A4SLC6A2SLC6A3CA12

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 MRGPRX4 2959/4885S1PR4 2394/4885SLC6A4 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.