SCHEMBL2097306

SCHEMBL2097306

Clc1ccc(Oc2ccc3c(c2)CC[N]C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
BCHE P06276 4/20 0.38
ACHE P22303 4/20 0.38
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
LTA4H P09960 5/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2301407 0.81 HTR2A (0.48)
SCHEMBL2090651 0.80 TRPV1 (0.38) ALDH1A1HRH3
SCHEMBL2094044 0.80 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL446529 0.76 DRD1 (0.50)
SCHEMBL2091711 0.74 MAPK14 (0.33)
SCHEMBL31317921 0.73 HTR2C (0.65) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL585704 0.73 HTR2A (0.48) ACHE
SCHEMBL3130115 0.72 CHRNB2 (0.37) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2302335 0.72 GPR3 (0.39) PDE4DALDH1A1LMNASMN1; SMN2
SCHEMBL27806350 0.71 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DMAOA

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 PDE4A 3611/4885PDE4B 2685/4885PDE4C 3847/4885

“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.