SCHEMBL2096009

SCHEMBL2096009

CC(CCC[O])Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
GPR88 Q9GZN0 1/20 0.42
KDM4E B2RXH2 1/20 0.39
SLC6A4 P31645 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.36
LTA4H P09960 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KCNA3 P22001 1/20 0.35

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
SCHEMBL27629520 0.88 MTNR1A (0.51) MTNR1AMTNR1BGPR88KDM4ESLC6A4
SCHEMBL2092589 0.84 MTNR1A (0.55) MTNR1AMTNR1BKDM4ESLC6A4GAA
SCHEMBL1454180 0.82 GPR88 (0.52) MTNR1AMTNR1BGPR88SLC6A4LMNA
SCHEMBL2096011 0.81 MTNR1A (0.49) MTNR1AMTNR1BGPR88KDM4ESLC6A4
SCHEMBL1454762 0.81 ALDH1A1 (0.49) MTNR1AMTNR1BGPR88KDM4ESLC6A4
SCHEMBL4367753 0.80 MTNR1A (0.53) MTNR1AMTNR1BGPR88GAACYP1A2
SCHEMBL1453717 0.79 ALDH1A1 (0.51) MTNR1AMTNR1BGPR88KDM4ESLC6A4
SCHEMBL1455040 0.79 ALDH1A1 (0.51) MTNR1AMTNR1BGPR88KDM4ESLC6A4
SCHEMBL6681348 0.79 ALDH1A1 (0.51) MTNR1AMTNR1BGPR88KDM4ESLC6A4
SCHEMBL1454857 0.79 ALDH1A1 (0.51) MTNR1AMTNR1BGPR88KDM4ESLC6A4

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 MTNR1A 802/4885MTNR1B 707/4885GPR88 346/4885

“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.