SCHEMBL2097579

SCHEMBL2097579

[O]c1ccc2nc(Oc3cc(Cl)c(Cl)c(Cl)c3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAP4K4 O95819 1/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE7A Q13946 1/20 0.31
SCN9A Q15858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SCN7A Q01118 2/20 0.30
KCNH2 Q12809 2/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
HIF1A Q16665 1/20 0.30
GMNN O75496 1/20 0.30

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
SCHEMBL2097582 0.82 ESR1 (0.41) PDE4BCYP1A2PDE1APDE1BPDE7A
SCHEMBL2092806 0.79 PDE4B (0.36) PDE4BCYP1A2HTTL3MBTL1MAP4K4
SCHEMBL2094766 0.78 ALDH1A1 (0.41) HTTMAP4K4KDM4EALDH1A1MAPT
SCHEMBL11106333 0.77 HTT (0.45) PDE4BCYP1A2CYP2C9CYP2C19HTT
SCHEMBL2090268 0.74 SCN9A (0.42) PDE4BCYP1A2CYP2C9HTTPDE1A
SCHEMBL2093014 0.72 BACE1 (0.32) PDE4BPDE1APDE1BPDE7ASCN9A
SCHEMBL11108750 0.71 BACE1 (0.45) PDE4BCYP1A2CYP2C19L3MBTL1PDE1A
SCHEMBL11110166 0.71 L3MBTL1 (0.45) PDE4BCYP1A2HTTL3MBTL1MAP4K4
SCHEMBL11109000 0.66 HTT (0.47) CYP1A2CYP2C19HTTL3MBTL1KDM4E
SCHEMBL10984153 0.65 HTT (0.42) CYP1A2HTTL3MBTL1MAP4K4KDM4E

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 3 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

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 PDE4B 2685/4885CYP1A2 420/4885CYP2C9 2206/4885

“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.