SCHEMBL2097290

SCHEMBL2097290

[NH]CCCCCCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
GPR84 Q9NQS5 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
GRM2 Q14416 1/20 0.40
EPHX2 P34913 2/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LTA4H P09960 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
EPHX1 P07099 1/20 0.38
FAAH O00519 1/20 0.38
PPARA Q07869 1/20 0.37

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
SCHEMBL2094396 0.93 DAO (0.45) DAOGPR84ALDH1A1TSHRSLC6A4
SCHEMBL19993379 0.85 DAO (0.45) DAOGPR84ALDH1A1TSHRSLC6A4
SCHEMBL22621150 0.85 DAO (0.45) DAOGPR84ALDH1A1TSHRSLC6A4
SCHEMBL2089848 0.85 DAO (0.47) DAOGPR84ALDH1A1TSHRSLC6A4
SCHEMBL11402931 0.82 DAO (0.43) DAOGPR84ALDH1A1TSHRSLC6A4
SCHEMBL1044877 0.82 PPARA (0.51) DAOGPR84ALDH1A1TSHRSLC6A4
SCHEMBL20746961 0.82 FAAH (0.57) ALDH1A1TSHRSLC6A4SLC6A3ACHE
SCHEMBL6230413 0.82 SLC7A5 (0.49) DAOGPR84ALDH1A1TSHR
SCHEMBL2097292 0.82 SLC7A5 (0.49) DAOGPR84ALDH1A1TSHR
SCHEMBL1047265 0.82 DAO (0.43) DAOGPR84ALDH1A1TSHRSLC6A4

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 DAO 1178/4885GPR84 372/4885ALDH1A1 412/4885

“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.