SCHEMBL2092503

SCHEMBL2092503

[O]c1ccc2c(c1)CCCN2c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CYP11B1 P15538 2/20 0.41
RORC P51449 1/20 0.41
SCN9A Q15858 2/20 0.41
TP53 P04637 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
KDR P35968 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TUBB4A P04350 1/20 0.36

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
SCHEMBL2091102 0.83 SCN9A (0.55) MAPTCYP11B1RORCSCN9ATP53
SCHEMBL2094308 0.79 HDAC1 (0.47) PDK1PDK2PDK3PDK4CYP11B1
SCHEMBL2095073 0.78 KCNQ2 (0.41) TP53KDRHDAC6OPRM1OPRD1
SCHEMBL21925174 0.77 MAPT (0.38) P2RY1PDK1PDK2PDK3PDK4
SCHEMBL31413325 0.77 MAPT (0.38) P2RY1PDK1PDK2PDK3PDK4
SCHEMBL2095819 0.74 P2RY1 (0.43) P2RY1MAPTTRPV1LIPE
SCHEMBL7133883 0.71 ALDH1A1 (0.49) PDK2LMNATP53LIPE
SCHEMBL19002241 0.70 PDK1 (0.52) PDK1PDK2PDK3PDK4LMNA
SCHEMBL2097565 0.69 CHRM5 (0.52) MAPTHDAC6
SCHEMBL18997411 0.69 PDK1 (0.51) P2RY1PDK1PDK2PDK3PDK4

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 P2RY1 1112/4885PDK1 790/4885PDK2 126/4885

“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.