SCHEMBL2096149

SCHEMBL2096149

[O]c1cc(N2CCC(Oc3ccccc3)CC2Oc2ccccc2)cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ACLY P53396 1/20 0.37
KCNH2 Q12809 1/20 0.36
EPHX2 P34913 3/20 0.36
CHRM4 P08173 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2J2 P51589 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL2096150 0.86 ACLY (0.39) HRH3SLC6A2SLC6A3ACLYKCNH2
SCHEMBL2096465 0.72 SLC6A2 (0.54) SLC6A2SLC6A3EPHX2CARM1PRMT6
SCHEMBL2091932 0.71 GPR6 (0.39) SLC6A2SLC6A3ACLYKCNH2EPHX2
SCHEMBL2094944 0.68 SLC6A2 (0.39) HRH3SLC6A2SLC6A3ACLYEPHX2
SCHEMBL2098375 0.67 EPHX2 (0.45) SLC6A2SLC6A3ACLYEPHX2CARM1
SCHEMBL2096464 0.67 SLC6A2 (0.46) HRH3SLC6A2SLC6A3ACLYEPHX2
SCHEMBL2088501 0.67 SLC6A2 (0.36) HRH3SLC6A2SLC6A3KCNH2EPHX2
SCHEMBL2093151 0.66 KDM4E (0.47) HRH3CHRM4
SCHEMBL6002414 0.65 SLC6A2 (0.37) HRH3SLC6A2SLC6A3ACLYEPHX2
SCHEMBL2098373 0.64 EPHX2 (0.45) SLC6A2SLC6A3ACLYEPHX2CARM1

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 538/4885SLC6A2 3591/4885SLC6A3 3737/4885

“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.