SCHEMBL2096782

SCHEMBL2096782

[CH2]COC(=CC)c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.35
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 3/20 0.35
F2R P25116 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL16357754 0.84 TSHR (0.46) HPGDALDH1A1KDM4EF2RSMN1; SMN2
SCHEMBL2095768 0.75 LMNA (0.40) F2RGAA
SCHEMBL2096740 0.72 CES2 (0.43) HPGDKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2095052 0.68 HPGD (0.43) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4087849 0.66 NPC1 (0.43) HPGDALDH1A1NPC1RAB9AHTT
SCHEMBL9316102 0.66 ALDH1A1 (0.39) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16163072 0.66 HPGD (0.46) HPGDALDH1A1F2RSMN1; SMN2HSD17B10
SCHEMBL28811680 0.66 TSHR (0.50) HPGDALDH1A1KDM4EF2RSMN1; SMN2
SCHEMBL16163071 0.66 HPGD (0.46) HPGDALDH1A1F2RSMN1; SMN2HSD17B10
SCHEMBL2091578 0.65 TSHR (0.38) HPGDALDH1A1F2RSMN1; SMN2L3MBTL1

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 HPGD 1951/4885ALDH1A1 412/4885KDM4E 4578/4885

“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.