SCHEMBL2089816

SCHEMBL2089816

Clc1cccc(CC2[CH]NCCC2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SLC6A4 P31645 8/20 0.39
SLC6A2 P23975 7/20 0.39
SLC6A3 Q01959 6/20 0.39
CYP2D6 P10635 4/20 0.39
TAAR1 Q96RJ0 1/20 0.39
IDO1 P14902 2/20 0.38
RECQL P46063 1/20 0.37
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2A13 Q16696 2/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2093070 0.81 IDO1 (0.43) PNMTKDM4EALDH1A1POLBSLC6A4
SCHEMBL27645127 0.74 EED (0.57) PNMTSLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL7438269 0.73 PNMT (0.50) PNMTKDM4EALDH1A1POLBSLC6A4
SCHEMBL3964711 0.72 SLC6A4 (0.51) PNMTSLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL4614099 0.71 DRD2 (0.45) KDM4EALDH1A1POLBSLC6A4SLC6A2
SCHEMBL2089498 0.68 SLC6A4 (0.40) ALDH1A1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL3964708 0.66 RECQL (0.46) PNMTKDM4EALDH1A1POLBSLC6A4
SCHEMBL22445017 0.66 CYP2A13 (0.42) PNMTKDM4EALDH1A1POLBSLC6A4
SCHEMBL22445016 0.66 CYP2A13 (0.42) PNMTKDM4EALDH1A1POLBSLC6A4
SCHEMBL6130291 0.65 PNMT (0.48) PNMTKDM4EALDH1A1POLBSLC6A4

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 PNMT 3431/4885KDM4E 4578/4885ALDH1A1 412/4885

“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.