SCHEMBL2096903

SCHEMBL2096903

[CH2]CCCCOCc1ccc(OC)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
TTR P02766 1/20 0.41
MAPT P10636 3/20 0.40
GFER P55789 1/20 0.40
SLC6A4 P31645 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL7945863 0.86 CA2 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6ATM
SCHEMBL7956492 0.84 CA2 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6ATM
SCHEMBL1003949 0.81 MEN1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2TTR
SCHEMBL7956564 0.81 CA2 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6ATM
SCHEMBL7361993 0.77 SMN1; SMN2 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2TTR
SCHEMBL1373686 0.77 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2TTR
SCHEMBL7952895 0.76 PTGS2 (0.47) ALDH1A1MAPTCYP3A4POLBKDM4E
SCHEMBL9021236 0.76 L3MBTL1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9021149 0.75 IDO1 (0.45) SMN1; SMN2SLC6A4L3MBTL1TDP1NPSR1
SCHEMBL7955079 0.75 PTGS2 (0.46) ALDH1A1MAPTCYP3A4POLBKDM4E

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 KMT2A 3324/4885MEN1 4525/4885ALDH1A1 412/4885

“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.