SCHEMBL2097491

SCHEMBL2097491

c1ccc(CCCN2CCC[N]CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.66
LTA4H P09960 1/20 0.64
GRIN2B Q13224 2/20 0.59
POLB P06746 1/20 0.57
SLC6A3 Q01959 1/20 0.56
HRH3 Q9Y5N1 1/20 0.55
CCR3 P51677 1/20 0.53

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
SCHEMBL2093251 0.95 SIGMAR1 (0.71) SIGMAR1LTA4HGRIN2BSLC6A3HRH3
SCHEMBL2093478 0.94 SIGMAR1 (0.73) SIGMAR1LTA4HGRIN2BSLC6A3HRH3
SCHEMBL2097395 0.94 SIGMAR1 (0.73) SIGMAR1LTA4HGRIN2BSLC6A3HRH3
SCHEMBL42714 0.93 SIGMAR1 (0.75) SIGMAR1LTA4HPOLBCCR3
SCHEMBL2779057 0.90 SLC6A3 (0.70) SIGMAR1LTA4HSLC6A3HRH3CCR3
SCHEMBL2096501 0.88 SIGMAR1 (0.69) SIGMAR1GRIN2BPOLBCCR3
SCHEMBL2089113 0.87 SIGMAR1 (0.72) SIGMAR1GRIN2BPOLBCCR3
SCHEMBL2099250 0.87 SIGMAR1 (0.72) SIGMAR1GRIN2BPOLBCCR3
SCHEMBL5302082 0.84 LTA4H (0.86) SIGMAR1LTA4HGRIN2BPOLBSLC6A3
SCHEMBL83687 0.83 SIGMAR1 (0.86) SIGMAR1LTA4HGRIN2BPOLBSLC6A3

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 SIGMAR1 161/4885LTA4H 3093/4885GRIN2B 269/4885

“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.