SCHEMBL2096629

SCHEMBL2096629

[CH2]C=Cc1c(OC(C)=O)cc(OC(C)=O)cc1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KDM4E B2RXH2 6/20 0.45
KMT2A Q03164 3/20 0.45
CYP3A4 P08684 3/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TTR P02766 1/20 0.45
HSD17B10 Q99714 4/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 3/20 0.43
HTT P42858 1/20 0.43
ELANE P08246 1/20 0.42
CYP19A1 P11511 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
SCHEMBL2096627 1.00 MAPT (0.45) MAPTKDM4EKMT2ACYP3A4LMNA
SCHEMBL22982403 0.81 KDM4E (0.47) MAPTKDM4EKMT2ACYP3A4LMNA
SCHEMBL12506984 0.81 ALDH1A1 (0.51) MAPTKDM4EKMT2ACYP3A4LMNA
SCHEMBL2342658 0.74 ERN1 (0.57) MAPTKDM4EKMT2ACYP3A4LMNA
SCHEMBL7945939 0.73 KDM4E (0.46) MAPTKDM4EKMT2ACYP3A4LMNA
SCHEMBL3292047 0.72 KDM4E (0.53) MAPTKDM4EKMT2ACYP3A4LMNA
SCHEMBL13865656 0.72 AKR1C3 (0.45) MAPTKDM4EKMT2ACYP3A4LMNA
SCHEMBL20289186 0.72 KDM4E (0.49) MAPTKDM4EKMT2ACYP3A4LMNA
SCHEMBL2010436 0.71 LMNA (0.59) MAPTKDM4EKMT2ACYP3A4LMNA
SCHEMBL2092070 0.70 MAPT (0.66) MAPTKDM4EKMT2ACYP3A4LMNA

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 MAPT 4299/4885KDM4E 4578/4885KMT2A 3324/4885

“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.