SCHEMBL2095387

SCHEMBL2095387

COc1cc(OC)c(NC2CCN(c3c([O])ccc4cccnc34)CC2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EHMT2 Q96KQ7 4/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC40A1 Q9NP59 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL27644979 0.84 HTR1A (0.60) HTR1AMEN1KMT2AEHMT2
SCHEMBL2094953 0.76 SLC40A1 (0.38) HTR1AMEN1KMT2ALMNAHTT
SCHEMBL2096479 0.74 KMT2A (0.46) MEN1KMT2ASLC40A1MAPT
SCHEMBL2094890 0.73 TRPV1 (0.46) KMT2ALMNAHTTHSP90AA1SLC40A1
SCHEMBL2094914 0.72 DKK1 (0.41) HTR1AMEN1KMT2ALMNAHTT
SCHEMBL5544117 0.72 EHMT2 (0.44) MEN1KMT2AEHMT2HTTALDH1A1
SCHEMBL2091914 0.69 ALDH1A1 (0.40) HTR1AMEN1KMT2ALMNAHTT
SCHEMBL2089502 0.67 MAPT (0.51) LMNAALDH1A1MAPTNPC1MITF
SCHEMBL5544124 0.67 GAA (0.46) HTR1AMEN1KMT2AEHMT2LMNA
SCHEMBL6636871 0.65 HTR2C (0.56) HTR1ALMNASLC40A1MAPTHTR6

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 HTR1A 3561/4885MEN1 4525/4885KMT2A 3324/4885

“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.