SCHEMBL2098201

SCHEMBL2098201

[CH2]Oc1cccc2cc(OCCCCCC)ccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MTNR1A P48039 2/20 0.45
KCNA3 P22001 1/20 0.43
GPBAR1 Q8TDU6 2/20 0.43
PLA2G4B P0C869 2/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
NR5A1 Q13285 1/20 0.43
MCHR1 Q99705 1/20 0.43
SMPD1 P17405 3/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL249286 0.88 KCNA3 (0.55) TSHRKCNA3GPBAR1CYSLTR2CYSLTR1
SCHEMBL15772640 0.85 KCNA3 (0.54) KCNA3MCHR1
SCHEMBL29447160 0.85 KCNA3 (0.54) KCNA3MCHR1
SCHEMBL2096275 0.83 TSHR (0.51) TSHRMTNR1AGPBAR1PLA2G4BCYSLTR2
SCHEMBL15772818 0.82 MAPK1 (0.46) KCNA3GPBAR1CYSLTR2CYSLTR1
SCHEMBL2096277 0.81 TSHR (0.53) TSHRMTNR1AGPBAR1PLA2G4BCYSLTR2
SCHEMBL8724311 0.80 NR5A1 (0.55) TSHRMTNR1APLA2G4BNR5A1LTA4H
SCHEMBL249138 0.80 MTNR1A (0.50) MTNR1APLA2G4BSMPD1
SCHEMBL15599989 0.80 MTNR1A (0.55) TSHRMTNR1APLA2G4BSMPD1
SCHEMBL15772317 0.79 KCNA3 (0.50) KCNA3MCHR1

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 TSHR 162/4885MTNR1A 802/4885KCNA3 3166/4885

“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.