SCHEMBL2094526

SCHEMBL2094526

FC(F)(F)Oc1ccc(CCCCCN2CC[N]CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.54
SLC6A4 P31645 4/20 0.53
SLC6A3 Q01959 4/20 0.53
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.45
SIGMAR1 Q99720 3/20 0.43
HRH3 Q9Y5N1 5/20 0.43
HRH1 P35367 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL2089513 1.00 GRM2 (0.54) GRM2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL2095841 0.99 GRM2 (0.55) GRM2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL2091060 0.95 SLC6A4 (0.55) GRM2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL2089247 0.95 SLC6A4 (0.55) GRM2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL2092480 0.94 SLC6A4 (0.55) GRM2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL2095427 0.94 SLC6A4 (0.56) GRM2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL2096865 0.90 SLC6A4 (0.57) GRM2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL2092331 0.89 SLC6A4 (0.58) GRM2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL2093659 0.84 SLC6A4 (0.60) GRM2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL2090550 0.82 HRH3 (0.49) ALDH1A1SIGMAR1HRH3HRH1HTR1A

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 GRM2 146/4885SLC6A4 4365/4885SLC6A3 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.