SCHEMBL2093775

SCHEMBL2093775

CC(CCC[NH])c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.45
ALDH1A1 P00352 3/20 0.41
SLC7A5 Q01650 2/20 0.40
EPHX1 P07099 2/20 0.39
EPHX2 P34913 1/20 0.37
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 1/20 0.36
SCN10A Q9Y5Y9 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL2093778 0.84 SLC7A5 (0.52) PDE2AALDH1A1SLC7A5EPHX1SLC6A4
SCHEMBL1042394 0.84 PDE2A (0.45) PDE2AALDH1A1SLC7A5EPHX1EPHX2
SCHEMBL1042393 0.84 PDE2A (0.45) PDE2AALDH1A1SLC7A5EPHX1EPHX2
SCHEMBL19506428 0.83 PDE2A (0.48) PDE2AALDH1A1SLC7A5EPHX1SLC6A4
SCHEMBL2093549 0.81 PDE2A (0.53) PDE2AALDH1A1SLC7A5EPHX1SLC6A4
SCHEMBL1044972 0.80 PDE2A (0.47) PDE2AALDH1A1SLC7A5EPHX1SLC6A4
SCHEMBL2093547 0.80 PDE2A (0.47) PDE2AALDH1A1SLC7A5EPHX1SLC6A4
SCHEMBL2095472 0.78 PDE2A (0.41) PDE2AALDH1A1LMNA
SCHEMBL2091069 0.78 PDE2A (0.40) PDE2AALDH1A1SLC7A5EPHX1HDAC3
SCHEMBL2091067 0.78 PDE2A (0.40) PDE2AALDH1A1SLC7A5EPHX1SLC6A4

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 PDE2A 3649/4885ALDH1A1 412/4885SLC7A5 1692/4885

“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.