SCHEMBL2094859

SCHEMBL2094859

CN(C([O])=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MLYCD O95822 3/20 0.47
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ KIF11 P52732 1/20 0.46
▸ POLQ O75417 3/20 0.46
▸ NR1H3 Q13133 2/20 0.45
▸ NR1H2 P55055 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPBAR1 Q8TDU6 2/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ SRD5A2 P31213 1/20 0.41

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
SCHEMBL14438022 0.84 SMN1; SMN2 (0.71) SMN1; SMN2MLYCDCES2CES1KIF11
SCHEMBL2094862 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MLYCDCES2CES1KIF11
SCHEMBL7682737 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MLYCDCES2CES1KIF11
SCHEMBL23167648 0.81 SMN1; SMN2 (0.49) SMN1; SMN2MLYCDCES2CES1KIF11
SCHEMBL11401944 0.79 POLQ (0.52) SMN1; SMN2MLYCDCES2CES1KIF11
SCHEMBL23804581 0.79 MLYCD (0.49) SMN1; SMN2MLYCDCES2CES1KIF11
SCHEMBL6563231 0.79 SMN1; SMN2 (0.47) SMN1; SMN2MLYCDCES2CES1KIF11
SCHEMBL7020459 0.79 SMN1; SMN2 (0.65) SMN1; SMN2MLYCDCES2CES1KIF11
SCHEMBL5431864 0.78 KIF11 (0.57) SMN1; SMN2MLYCDKIF11POLQGPBAR1
SCHEMBL28250894 0.78 SMN1; SMN2 (0.50) SMN1; SMN2MLYCDCES2CES1KIF11

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 SMN1; SMN2 3787/4885MLYCD 1598/4885CES2 2243/4885

“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.

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