SCHEMBL2094879

SCHEMBL2094879

[CH2]c1ccccc1-c1ccc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
MAPT P10636 5/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 3/20 0.37
TP53 P04637 2/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36
PDK2 Q15119 1/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 1/20 0.35
F2 P00734 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
SCHEMBL11729295 0.82 ELANE (0.52) ELANEMAPTGAATDP1TP53
SCHEMBL29590360 0.82 ELANE (0.52) ELANEMAPTGAATDP1TP53
SCHEMBL28252429 0.81 PDK2 (0.41) ELANECYP2A6MEN1KMT2APDK2
SCHEMBL3756905 0.80 GPR3 (0.40) MAPTCYP2A6PDK2KDM4EALOX15
SCHEMBL2489512 0.80 TSHR (0.45) GAARAB9AHPGDSMN1; SMN2NPC1
SCHEMBL3043421 0.79 TDP1 (0.52) ELANEMAPTGAATDP1TP53
SCHEMBL31547677 0.79 TDP1 (0.52) ELANEMAPTGAATDP1TP53
SCHEMBL2092223 0.78 NQO2 (0.38) ELANEMAPTMEN1KMT2AHTT
SCHEMBL24625661 0.75 ELANE (0.45) ELANEMAPTGAATDP1TP53
SCHEMBL14850866 0.75 ELANE (0.45) ELANEMAPTGAAMEN1KMT2A

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 ELANE 3920/4885MAPT 4299/4885GAA 3982/4885

“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.