SCHEMBL2094575

SCHEMBL2094575

Fc1ccc(CN2CCC[N]CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
KDM4E B2RXH2 3/20 0.50
MAPT P10636 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
MCHR1 Q99705 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HTT P42858 1/20 0.45
CXCR4 P61073 1/20 0.44
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2098314 0.93 KDM4E (0.56) HRH3KDM4EMAPT
SCHEMBL2088672 0.84 ALDH1A1 (0.67) HRH3KDM4EMAPTHRH4MCHR1
SCHEMBL5319459 0.83 HRH3 (0.74) HRH3KDM4EMAPTHRH4MCHR1
SCHEMBL2095383 0.83 ALDH1A1 (0.54) HRH3KDM4EHRH4ALDH1A1CXCR4
SCHEMBL2088589 0.83 HRH3 (0.52) HRH3KDM4EHRH4ALDH1A1CXCR4
SCHEMBL2092380 0.83 ALDH1A1 (0.56) HRH3KDM4EHRH4ALDH1A1CXCR4
SCHEMBL42218 0.82 SIGMAR1 (0.61) HRH3ALDH1A1
SCHEMBL2092233 0.82 KDM4E (0.71) HRH3KDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL23850153 0.81 HRH3 (0.64) HRH3KDM4EMAPTHRH4MCHR1
SCHEMBL1505875 0.81 HRH3 (0.78) HRH3KDM4EHRH4MCHR1ALDH1A1

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 HRH3 538/4885KDM4E 4578/4885MAPT 4299/4885

“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.