SCHEMBL2095487

SCHEMBL2095487

[CH2]OC(=O)NCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
TAAR1 Q96RJ0 3/20 0.58
GAA P10253 1/20 0.58
CA12 O43570 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
EPHX1 P07099 1/20 0.56
PLAAT5 Q96KN8 2/20 0.54
PLAAT4 Q9UL19 2/20 0.54
CA1 P00915 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP3 P08254 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC3 O15379 1/20 0.52

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
SCHEMBL2095490 0.83 TAAR1 (0.69) NPC1RAB9ATAAR1GAACA12
SCHEMBL28010694 0.81 NPC1 (0.58) NPC1RAB9ATAAR1GAACA12
SCHEMBL22282200 0.81 NPC1 (0.58) NPC1RAB9ATAAR1GAACA12
SCHEMBL28277097 0.81 TAAR1 (0.58) NPC1RAB9ATAAR1GAACA12
SCHEMBL28203595 0.81 NPC1 (0.58) NPC1RAB9ATAAR1GAACA12
SCHEMBL2095021 0.81 GAA (0.53) GAAEPHX1SMN1; SMN2ALDH1A1HPGD
Benzyl Phenethylcarbamate SCHEMBL4287199 0.80 LMNA (0.73) NPC1RAB9ATAAR1GAACA12
SCHEMBL19387598 0.80 NPC1 (0.56) NPC1RAB9ATAAR1GAACA12
SCHEMBL158220 0.79 HDAC3 (0.78) NPC1RAB9ATAAR1GAACA12
SCHEMBL28028802 0.79 TAAR1 (0.55) NPC1RAB9ATAAR1GAACA12

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 NPC1 3130/4885RAB9A 3153/4885TAAR1 163/4885

“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.