SCHEMBL2098375

SCHEMBL2098375

CC(=O)N1CCC(Oc2ccccc2)CC1Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
POLB P06746 1/20 0.43
ACACB O00763 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
USP30 Q70CQ3 1/20 0.40
ACLY P53396 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SCD5 Q86SK9 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2J2 P51589 1/20 0.40

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
SCHEMBL2098373 0.86 EPHX2 (0.45) EPHX2SLC6A2SLC6A3CARM1PRMT6
SCHEMBL28423262 0.78 ACACB (0.38) EPHX2POLBACACB
SCHEMBL2091338 0.77 EPHX2 (0.57) EPHX2CARM1PRMT6SCD5
SCHEMBL2096465 0.77 SLC6A2 (0.54) EPHX2SLC6A2SLC6A3CARM1PRMT6
SCHEMBL6123598 0.75 EPHX2 (0.51) EPHX2ACACBALDH1A1CHRM2CHRM3
SCHEMBL2096464 0.74 SLC6A2 (0.46) EPHX2SLC6A2SLC6A3CARM1PRMT6
SCHEMBL10606771 0.74 EPHX2 (0.60) EPHX2SCD5CYP2C9CYP2J2
SCHEMBL29111076 0.74 ACACB (0.36) EPHX2ACACB
SCHEMBL30608945 0.73 USP30 (0.43) EPHX2SLC6A2SLC6A3ALDH1A1USP30
SCHEMBL949541 0.72 ATM (0.49) SLC6A2SLC6A3

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 EPHX2 3472/4885SLC6A2 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.