SCHEMBL2091979

SCHEMBL2091979

[CH2]OCc1ccccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.43
DRD2 P14416 4/20 0.43
GRIN2B Q13224 2/20 0.41
GRIN1 Q05586 1/20 0.41
SLC6A2 P23975 7/20 0.41
SLC6A4 P31645 6/20 0.41
KCNH2 Q12809 4/20 0.40
CYP2D6 P10635 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
VNN1 O95497 1/20 0.38
TACR1 P25103 1/20 0.37
SGMS1 Q86VZ5 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
OPRM1 P35372 1/20 0.36

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
SCHEMBL2091566 0.81 SLC6A3 (0.45) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL2094057 0.81 GRIN2B (0.40) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL7342115 0.81 GRIN2B (0.41) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL1715651 0.81 IDO1 (0.58) SLC6A3GRIN2BGRIN1SLC6A2SLC6A4
SCHEMBL2091982 0.81 IDO1 (0.44) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL1047281 0.80 GRIN2B (0.43) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL2093373 0.80 SLC6A2 (0.42) SLC6A3DRD2GRIN2BGRIN1SLC6A2
Hydrochloric Acid SCHEMBL1715608 0.79 IDO1 (0.59) GRIN2BGRIN1IDO1
SCHEMBL2090839 0.77 SLC6A3 (0.47) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL2090205 0.77 GRIN2B (0.42) SLC6A3DRD2GRIN2BGRIN1SLC6A2

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 12 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
US-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 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
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 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
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP 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 (4 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH SLC6A3 1231/4885DRD2 95/4885GRIN2B 4219/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SLC6A3 3737/4885DRD2 409/4885GRIN2B 269/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 SLC6A3 2477/4885DRD2 415/4885GRIN2B 3905/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH SLC6A3 1037/4885DRD2 96/4885GRIN2B 4284/4885

“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.