SCHEMBL2090932

SCHEMBL2090932

[O]c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.55
GUSB P08236 1/20 0.53
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CHEK2 O96017 2/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
AMY1A P0DUB6 5/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FTO Q9C0B1 1/20 0.40

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
SCHEMBL31289554 0.82 NPBWR1 (0.52) NPBWR1GUSBKDM4EALDH1A1NPC1
SCHEMBL2094029 0.80 ALDH1A1 (0.55) NPBWR1GUSBKDM4EALDH1A1NPC1
SCHEMBL30046965 0.80 NPC1 (0.71) NPBWR1GUSBKDM4EALDH1A1NPC1
SCHEMBL3336694 0.80 NPC1 (0.71) NPBWR1GUSBKDM4EALDH1A1NPC1
SCHEMBL13405888 0.77 ALDH1A1 (0.71) NPBWR1GUSBKDM4EALDH1A1NPC1
SCHEMBL7278434 0.77 NPBWR1 (0.52) NPBWR1GUSBKDM4EALDH1A1NPC1
SCHEMBL15643361 0.76 ALDH1A1 (0.51) NPBWR1GUSBKDM4EALDH1A1NPC1
Hydrochloric Acid SCHEMBL10846512 0.75 NPBWR1 (0.51) NPBWR1GUSBKDM4EALDH1A1NPC1
SCHEMBL1171146 0.75 ALDH1A1 (0.53) KDM4EALDH1A1NPC1RAB9AGPR55
SCHEMBL28973519 0.74 ALDH1A1 (0.50) NPBWR1KDM4EALDH1A1NPC1RAB9A

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 NPBWR1 351/4885GUSB 4473/4885KDM4E 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.