SCHEMBL2096907

SCHEMBL2096907

COc1ccc(N2CCC[N]CC2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
ALDH1A3 P47895 1/20 0.49
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 3/20 0.45
HTR1A P08908 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 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
SCHEMBL4143536 0.95 KDM4E (0.49) KDM4EALDH1A1ALDH1A3MAPTNPSR1
SCHEMBL5566877 0.87 ALDH1A1 (0.61) KDM4EALDH1A1ALDH1A3MAPTNPSR1
SCHEMBL13030868 0.85 ALDH1A1 (0.59) KDM4EALDH1A1ALDH1A3MAPTNPSR1
SCHEMBL2204461 0.83 MAPT (0.58) KDM4EALDH1A1MAPTTSHRHTR3E
SCHEMBL2094507 0.81 MAPT (0.38) KDM4EALDH1A1ALDH1A3MAPTNPSR1
SCHEMBL10515573 0.80 HTR3E (0.67) KDM4EALDH1A1MAPTHTR3EHTR3B
SCHEMBL17145033 0.79 DRD2 (0.55) KDM4EALDH1A1ALDH1A3MAPTNPSR1
SCHEMBL12932476 0.78 HTR3A (0.64) MAPTHTR1AHTR3EHTR3BHTR3A
SCHEMBL8360744 0.78 DRD2 (0.62) KDM4EALDH1A1ALDH1A3MAPTTSHR
SCHEMBL2093519 0.78 HTR3E (0.54) ALDH1A1MAPTTSHRHTR3EHTR3B

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 KDM4E 4578/4885ALDH1A1 412/4885ALDH1A3 741/4885

“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.