SCHEMBL2091111

SCHEMBL2091111

[CH2]OCCCCCCc1coc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
CA2 P00918 1/20 0.40
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
IL4I1 Q96RQ9 1/20 0.35
PSMB5 P28074 4/20 0.35
PSMB8 P28062 3/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL2094752 0.87 MAOB (0.46) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL2091115 0.84 PSMB5 (0.45) MAOBCA2PSMB5PSMB8FAAH
SCHEMBL9481576 0.82 MAOB (0.45) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL2093217 0.79 CA2 (0.37) MAOBCA2PSMB5PSMB8
SCHEMBL2091217 0.79 MAOB (0.53) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL8641064 0.79 MAOB (0.45) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL2091215 0.79 MAOB (0.49) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL30956093 0.79 CA2 (0.46) MAOBCA2PSMB5PSMB8FAAH
SCHEMBL6002749 0.78 MAOB (0.47) MAOBCA2CYP17A1CYP19A1CYP11B1
SCHEMBL8283499 0.78 PSMB5 (0.47) MAOBCA2PSMB5PSMB8MAOA

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 MAOB 1654/4885CA2 2002/4885CYP17A1 2506/4885

“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.