SCHEMBL2096239

SCHEMBL2096239

Clc1ccc(OC2[CH]CNCC2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.53
SLC6A4 P31645 13/20 0.53
SLC6A3 Q01959 13/20 0.53
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
FPR2 P25090 2/20 0.34
PROKR1 Q8TCW9 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2091836 0.82 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL31128128 0.77 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL942585 0.77 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL2093605 0.76 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4107468 0.76 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3FPR2PROKR1
Hydrochloric Acid SCHEMBL31381194 0.76 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL27645275 0.75 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL6219350 0.74 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10605496 0.73 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3
SCHEMBL5468103 0.72 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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 SLC6A2 3591/4885SLC6A4 4365/4885SLC6A3 3737/4885

“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.