SCHEMBL2096474

SCHEMBL2096474

[CH2]OCc1ccc(C(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.63
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
NFE2L2 Q16236 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PYCR1 P32322 1/20 0.39
ALOX5 P09917 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 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
SCHEMBL2293769 0.81 IDO1 (0.68) IDO1RXRARXRBNFE2L2L3MBTL1
SCHEMBL11341386 0.81 IDO1 (0.68) IDO1RXRARXRBNFE2L2L3MBTL1
SCHEMBL764954 0.79 IDO1 (0.65) IDO1RXRARXRBNFE2L2L3MBTL1
SCHEMBL2094163 0.78 IDO1 (0.59) IDO1RXRARXRBNFE2L2L3MBTL1
SCHEMBL260335 0.77 IDO1 (0.63) IDO1RXRARXRBNFE2L2L3MBTL1
SCHEMBL17037240 0.77 IDO1 (0.63) IDO1RXRARXRBNFE2L2L3MBTL1
SCHEMBL19121843 0.77 IDO1 (0.63) IDO1RXRARXRBNFE2L2L3MBTL1
SCHEMBL19215657 0.77 IDO1 (0.63) IDO1RXRARXRBNFE2L2L3MBTL1
SCHEMBL1715484 0.77 IDO1 (1.00) IDO1
SCHEMBL11354558 0.77 IDO1 (0.63) IDO1RXRARXRBNFE2L2L3MBTL1

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 IDO1 2665/4885RXRA 179/4885RXRB 138/4885

“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.