SCHEMBL2090960

SCHEMBL2090960

[O]C(=O)Nc1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
TGM2 P21980 1/20 0.62
P2RX1 P51575 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
RAB9A P51151 2/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 1/20 0.56
ALOX15 P16050 1/20 0.56
IDO1 P14902 1/20 0.55
MAOB P27338 3/20 0.54
HPGD P15428 2/20 0.54
MAOA P21397 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53
GRM5 P41594 1/20 0.51
GRK2 P25098 1/20 0.51

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
SCHEMBL19707566 0.85 GAA (0.65) GAATGM2P2RX1MEN1KMT2A
SCHEMBL11457921 0.84 GPR35 (0.60) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL1400845 0.83 GAA (0.62) GAATGM2P2RX1MEN1KMT2A
SCHEMBL2085653 0.82 TGM2 (0.66) GAATGM2P2RX1MEN1KMT2A
SCHEMBL167814 0.82 GAA (0.61) GAATGM2P2RX1MEN1KMT2A
SCHEMBL5142687 0.82 GAA (0.77) GAATGM2P2RX1MEN1KMT2A
SCHEMBL264735 0.82 GAA (0.66) GAATGM2P2RX1ALDH1A1RAB9A
SCHEMBL29556097 0.80 MAOA (0.69) GAATGM2P2RX1MEN1KMT2A
SCHEMBL29556941 0.80 GAA (0.59) GAATGM2P2RX1MEN1KMT2A
SCHEMBL11051606 0.79 MAOA (0.72) GAATGM2MEN1KMT2AALDH1A1

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 7 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 GAA 3982/4885TGM2 2418/4885P2RX1 1622/4885

“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.