SCHEMBL2089882

SCHEMBL2089882

CCOc1ccc(CCCCCOCCCCCC2[CH]CNCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.42
ITGA2B P08514 11/20 0.42
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ACACB O00763 1/20 0.35
ITGAV P06756 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL2089535 0.95 ITGB3 (0.40) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL7288409 0.76 CYP19A1 (0.40)
SCHEMBL10575040 0.71 NQO1 (0.64) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL4248652 0.69 NQO1 (0.67) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9398608 0.68 RAB9A (0.52) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL9398614 0.68 RAB9A (0.52) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL9187644 0.67 MEN1 (0.56) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL9188257 0.67 MEN1 (0.56) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL9188251 0.67 MEN1 (0.56) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL9190203 0.67 MEN1 (0.56) ITGB3ITGA2BMEN1USP2ALDH1A1

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 ITGB3 2188/4885ITGA2B 1711/4885MEN1 4525/4885

“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.