SCHEMBL2090743

SCHEMBL2090743

[CH2]Cc1csc2cccc(Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
DRD4 P21917 1/20 0.36
CA2 P00918 1/20 0.35
MAPK1 P28482 2/20 0.34
MCL1 Q07820 1/20 0.34
OGG1 O15527 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PNMT P11086 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PSMB8 P28062 1/20 0.30
LMNA P02545 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL6002815 0.81 ALDH1A1 (0.39) CYP2A6DRD2DRD3DRD4CA2
SCHEMBL3276608 0.81 CA2 (0.41) CYP2A6DRD2DRD3DRD4CA2
SCHEMBL15729955 0.81 CYP2A6 (0.53) CYP2A6DRD2DRD3DRD4CA2
SCHEMBL2091809 0.80 DRD2 (0.32) CYP2A6DRD2DRD3DRD4CA2
SCHEMBL8584219 0.79 TAAR1 (0.50) CYP2A6DRD2DRD3DRD4CA2
SCHEMBL2090273 0.78 CYP2A6 (0.36) CYP2A6CA2GPR84ALDH1A1CYP1A2
SCHEMBL3150930 0.76 LMNA (0.41) CYP2A6DRD2DRD3DRD4MAPK1
SCHEMBL2092335 0.75 MAPK1 (0.37) CYP2A6DRD2DRD3DRD4MAPK1
SCHEMBL28843681 0.72 CA2 (0.38) CYP2A6DRD2DRD3DRD4CA2
SCHEMBL2092548 0.71 CYP2A6 (0.41) CYP2A6MAPK1MCL1OGG1ALDH1A1

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
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

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 CYP2A6 1153/4885DRD2 409/4885DRD3 441/4885

“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.