SCHEMBL2094701

SCHEMBL2094701

O=C(O)N(c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
PTGIR P43119 3/20 0.48
PTGDR Q13258 1/20 0.48
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
HTT P42858 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43

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
SCHEMBL2094699 0.87 PTGIR (0.47) NPSR1PTGIRPTGDRRAB9ANPC1
SCHEMBL1118562 0.87 PTGIR (0.47) NPSR1PTGIRPTGDRRAB9ANPC1
SCHEMBL2092081 0.86 NPSR1 (0.50) NPSR1PTGIRPTGDRRAB9ANPC1
SCHEMBL29227734 0.86 RAB9A (0.47) NPSR1PTGIRPTGDRRAB9ANPC1
SCHEMBL8996028 0.85 KMT2A (0.47) NPSR1PTGIRPTGDRRAB9ANPC1
Hydrochloric Acid SCHEMBL27946912 0.84 HTR3E (0.47) NPSR1PTGIRPTGDRRAB9ANPC1
SCHEMBL10400233 0.82 ALDH1A1 (0.73) NPSR1PTGIRPTGDRRAB9ANPC1
SCHEMBL6243853 0.82 PTGIR (0.50) NPSR1PTGIRPTGDRRAB9ANPC1
SCHEMBL2096920 0.82 NPSR1 (0.54) NPSR1PTGIRPTGDRRAB9ANPC1
SCHEMBL9471179 0.81 ALDH1A1 (0.51) NPSR1PTGIRPTGDRRAB9ANPC1

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 3 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

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 NPSR1 202/4885PTGIR 1605/4885PTGDR 427/4885

“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.