SCHEMBL2093375

SCHEMBL2093375

COCc1cccc(OC(F)(F)F)c1Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 1/20 0.45
RIPK1 Q13546 1/20 0.42
PDK2 Q15119 1/20 0.40
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GRIN2B Q13224 2/20 0.36
HRH1 P35367 1/20 0.36
NPBWR1 P48145 1/20 0.35
ABCB1 P08183 3/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
HTR1A P08908 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
SCHEMBL2093373 0.86 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3RIPK1HCRTR1
SCHEMBL2091982 0.80 IDO1 (0.44) SLC6A4SLC6A2SLC6A3PDK2HCRTR1
SCHEMBL2088979 0.74 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3RIPK1ALDH1A1
SCHEMBL27645264 0.74 ALDH1A1 (0.39) SLC6A4SLC6A2SLC6A3RIPK1KMT2A
SCHEMBL7255833 0.73 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3RIPK1MEN1
SCHEMBL5919466 0.71 SLC22A12 (0.42)
SCHEMBL28116469 0.71 LMNA (0.56) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL9590947 0.71 CTNNB1 (0.45) ALDH1A1RXRARXRBRXRG
SCHEMBL14892702 0.69 KCNK3 (0.46) MEN1KMT2AKDM4E
SCHEMBL2091568 0.68 SLC6A3 (0.49) SLC6A4SLC6A2SLC6A3HCRTR1HCRTR2

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
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
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 SLC6A4 4365/4885SLC6A2 3591/4885SLC6A3 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.