SCHEMBL2093697

SCHEMBL2093697

[NH]CCc1ccccc1OC(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.36
DRD2 P14416 5/20 0.36
TAAR1 Q96RJ0 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 2/20 0.33
HRH1 P35367 1/20 0.33
HTR1A P08908 1/20 0.33
GRIN2B Q13224 2/20 0.31
GRIN1 Q05586 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
AOC3 Q16853 1/20 0.31
KCNH2 Q12809 2/20 0.31
CYP2D6 P10635 1/20 0.31
AR P10275 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
IDO1 P14902 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
SCHEMBL2094153 0.85 IDO1 (0.34) SLC6A3DRD2SLC6A2SLC6A4GRIN2B
SCHEMBL2095128 0.85 SLC6A3 (0.47) SLC6A3DRD2TAAR1SLC6A2SLC6A4
SCHEMBL2093698 0.82 TAAR1 (0.55) SLC6A3DRD2TAAR1HRH1CYP2D6
SCHEMBL2094155 0.78 PNMT (0.38) SLC6A3DRD2TAAR1SLC6A2SLC6A4
SCHEMBL2091966 0.78 IDO1 (0.35) SLC6A3DRD2SLC6A2SLC6A4GRIN2B
SCHEMBL3150553 0.78 SLC6A3 (0.34) SLC6A3DRD2SLC6A2SLC6A4GRIN2B
SCHEMBL2088941 0.78 SLC6A3 (0.34) SLC6A3DRD2SLC6A2SLC6A4GRIN2B
SCHEMBL2091969 0.78 L3MBTL1 (0.46) SLC6A3DRD2SLC6A2SLC6A4AR
SCHEMBL10600724 0.76 CA12 (0.35) SLC6A3SLC6A2SLC6A4
SCHEMBL5536272 0.76 DRD2 (0.33) SLC6A3DRD2TAAR1SLC6A2

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 3 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

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 SLC6A3 3737/4885DRD2 409/4885TAAR1 163/4885

“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.