SCHEMBL2090904

SCHEMBL2090904

COc1ccccc1NC1CC[N]CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
DRD2 P14416 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
ALOX15 P16050 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42

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
SCHEMBL1645759 0.88 DRD2 (0.52) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL2094864 0.86 ROCK2 (0.42) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL1646836 0.84 LMNA (0.55) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL19915073 0.83 NPSR1 (0.61) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL1673520 0.80 HTR2C (0.54) ALDH1A1DRD2SMN1; SMN2LMNANPSR1
SCHEMBL2093417 0.80 DDB1 (0.50) GAAMAPT
Hydrochloric Acid SCHEMBL15819292 0.79 HTR2C (0.55) ALDH1A1MAPTDRD2SMN1; SMN2LMNA
SCHEMBL2087914 0.77 MAPT (0.41) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL2091909 0.77 DDB1 (0.40) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL7478390 0.76 MAPT (0.43) RAB9ANPC1ALDH1A1GAAMAPT

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 RAB9A 3153/4885NPC1 3130/4885ALDH1A1 412/4885

“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.