SCHEMBL2093409

SCHEMBL2093409

[O]c1cccnc1C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.44
SLC6A2 P23975 15/20 0.44
SLC6A4 P31645 15/20 0.44
SLC6A3 Q01959 7/20 0.44
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 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
SCHEMBL13239364 0.82 SLC6A4 (0.54) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL3784551 0.79 HTR1A (0.55) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL2093411 0.79 HTR1A (0.44) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL3212767 0.79 HTR1A (0.55) HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL27769607 0.77 HTR2C (0.54) HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL22031737 0.77 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
Hydrochloric Acid SCHEMBL16992329 0.77 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL8561865 0.76 MAPT (0.44) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL15940573 0.75 HTR1A (0.62) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL1557767 0.75 SLC6A2 (0.41) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3

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 HTR1A 3561/4885SLC6A2 3591/4885SLC6A4 4365/4885

“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.