SCHEMBL2094409

SCHEMBL2094409

CC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
IKBKB O14920 2/20 0.47
CHEK2 O96017 1/20 0.47
HTT P42858 1/20 0.46
ACACB O00763 3/20 0.46
NAMPT P43490 1/20 0.46
PLA2G1B P04054 1/20 0.46
POLB P06746 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
CHUK O15111 1/20 0.44
ALK Q9UM73 1/20 0.44
LNPEP Q9UIQ6 1/20 0.43

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
SCHEMBL2094405 0.87 PLA2G1B (0.45) HRH3ACACBPLA2G1BPOLBATG4B
SCHEMBL12311796 0.86 POLB (0.52) HRH3CYP4F2CYP4A11IKBKBPOLB
SCHEMBL12311795 0.86 OXTR (0.50) HRH3CYP4F2CYP4A11IKBKBACACB
SCHEMBL16220677 0.83 EPHX2 (0.56) HRH3CYP4F2CYP4A11CHEK2NAMPT
SCHEMBL24596887 0.82 CYP4F2 (0.51) HRH3CYP4F2CYP4A11IKBKBCHEK2
SCHEMBL12377876 0.81 EPHX2 (0.60) HRH3IKBKBRAB9AALDH1A1TP53
SCHEMBL9013886 0.80 CASP6 (0.53) HRH3CYP4F2CYP4A11IKBKBCHEK2
SCHEMBL2096831 0.79 EPHX2 (0.55) CYP4F2CYP4A11CHEK2ACACBNAMPT
Hydrochloric Acid SCHEMBL9014030 0.79 CASP6 (0.51) HRH3CYP4F2CYP4A11IKBKBCHEK2
SCHEMBL31370640 0.79 ALDH1A1 (0.55) HRH3CYP4F2CYP4A11IKBKBCHEK2

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 HRH3 538/4885CYP4F2 1018/4885CYP4A11 2586/4885

“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.