SCHEMBL2090873

SCHEMBL2090873

COc1ccc(OC2CCN(c3cc(O)c4ncsc4c3)CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.46
PDE3A Q14432 10/20 0.46
PDE10A Q9Y233 10/20 0.46
MALT1 Q9UDY8 1/20 0.38
FKBP1A P62942 1/20 0.36
FKBP5 Q13451 1/20 0.36
ACACB O00763 1/20 0.36
NEK2 P51955 1/20 0.36
PLK1 P53350 1/20 0.36
HIF1A Q16665 1/20 0.36
MCHR1 Q99705 1/20 0.35
SYK P43405 2/20 0.35
FFAR1 O14842 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
SCHEMBL2090870 0.89 PDE3B (0.46) PDE3BPDE3APDE10AMALT1FKBP1A
SCHEMBL2090155 0.86 ACACB (0.37) ACACB
SCHEMBL27665985 0.82 PDE3B (0.50) PDE3BPDE3APDE10AFKBP1AFKBP5
SCHEMBL2095347 0.81 ABCB1 (0.41) MALT1
SCHEMBL27665995 0.80 PDE3B (0.46) PDE3BPDE3APDE10AFKBP1AFKBP5
SCHEMBL5016084 0.77 ALDH1A1 (0.50)
SCHEMBL2096828 0.76 SCD (0.39) MALT1
SCHEMBL2090153 0.74 ACACB (0.37) ACACBFFAR1
SCHEMBL2089310 0.73 PDE3B (0.53) PDE3BPDE3APDE10AFFAR1
SCHEMBL2095343 0.70 ABCB1 (0.41) MALT1

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 PDE3B 3406/4885PDE3A 4089/4885PDE10A 4606/4885

“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.