SCHEMBL2096705

SCHEMBL2096705

Ic1ccc(C=CCN2CC[N]CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
MAPK1 P28482 5/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP3A4 P08684 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
HTR1A P08908 2/20 0.41
CHRM5 P08912 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
CHRM1 P11229 2/20 0.41
DRD2 P14416 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41

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
SCHEMBL2096704 1.00 LTA4H (0.46) LTA4HMAPK1LMNAALDH1A1CYP2D6
SCHEMBL2091431 0.94 LTA4H (0.49) LTA4HMAPK1LMNAALDH1A1CYP2D6
SCHEMBL2091230 0.83 ALDH1A1 (0.47) LTA4HMAPK1LMNAALDH1A1CYP2D6
SCHEMBL2093303 0.83 SIGMAR1 (0.50) LTA4HMAPK1LMNAALDH1A1CYP2D6
SCHEMBL2091228 0.83 ALDH1A1 (0.47) LTA4HMAPK1LMNAALDH1A1CYP2D6
SCHEMBL2093306 0.83 SIGMAR1 (0.50) LTA4HMAPK1LMNAALDH1A1CYP2D6
SCHEMBL43559 0.83 LMNA (0.58) LTA4HMAPK1LMNAALDH1A1CYP2D6
SCHEMBL43558 0.83 LMNA (0.58) LTA4HMAPK1LMNAALDH1A1CYP2D6
SCHEMBL2096320 0.80 HIF1A (0.46) LTA4HMAPK1LMNAALDH1A1CYP2D6
SCHEMBL2090464 0.80 MAPK1 (0.51) MAPK1LMNAALDH1A1CYP2D6CYP3A4

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 7 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 LTA4H 3093/4885MAPK1 2105/4885LMNA 4594/4885

“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.