SCHEMBL2095963

SCHEMBL2095963

[CH2]CCC(C)c1coc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.38
CA2 P00918 1/20 0.36
MAOA P21397 2/20 0.34
PTPN1 P18031 1/20 0.34
PSMB5 P28074 3/20 0.34
PSMB8 P28062 1/20 0.34
HSD17B2 P37059 1/20 0.33
SLC6A4 P31645 2/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL27666046 0.84 MAOB (0.39) MAOBCA2MAOAPTPN1PSMB5
SCHEMBL9114995 0.81 KDM4E (0.44) PTPN1
SCHEMBL14270019 0.80 TSHR (0.47) MAOBCA2MAOAPTPN1PSMB5
SCHEMBL4152831 0.79 MAOB (0.47) MAOBCA2MAOAPTPN1PSMB5
SCHEMBL904863 0.75 MAOB (0.41) MAOBCA2MAOAPTPN1PSMB5
SCHEMBL2974161 0.72 MAOB (0.39) MAOBCA2MAOAPTPN1PSMB5
SCHEMBL6214674 0.72 MAOB (0.39) MAOBCA2MAOAPTPN1PSMB5
SCHEMBL28392768 0.72 MAOB (0.43) MAOBCA2MAOAPTPN1PSMB5
SCHEMBL30824592 0.72 CA2 (0.41) MAOBCA2MAOAPTPN1PSMB5
SCHEMBL140190 0.72 CA2 (0.41) MAOBCA2MAOAPTPN1PSMB5

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 MAOB 1654/4885CA2 2002/4885MAOA 2692/4885

“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.