SCHEMBL2095599

SCHEMBL2095599

O=C(O)N(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
NR3C2 P08235 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGIR P43119 2/20 0.44
PTGDR Q13258 1/20 0.44
S100A4 P26447 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AGTR2 P50052 2/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
KCNN4 O15554 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL19778 0.86 NPSR1 (0.70) NPSR1NPC1RAB9AALDH1A1POLB
SCHEMBL2095596 0.85 NPSR1 (0.52) NPSR1NR3C2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL5094831 0.84 NPSR1 (0.67) NPSR1NPC1RAB9AALDH1A1POLB
Bromide SCHEMBL31210017 0.84 NPSR1 (0.67) NPSR1NPC1RAB9AALDH1A1POLB
SCHEMBL16969128 0.83 ACHE (0.52) NR3C2ALDH1A1KMT2AL3MBTL1TRPM8
SCHEMBL2088335 0.83 NPSR1 (0.50) NPSR1NPC1RAB9AALDH1A1POLB
SCHEMBL1118841 0.83 NPSR1 (0.50) NPSR1NR3C2NPC1RAB9AALDH1A1
SCHEMBL7526392 0.83 S100A4 (0.56) NPSR1NR3C2NPC1RAB9AALDH1A1
SCHEMBL7526382 0.83 NPSR1 (0.50) NPSR1NR3C2NPC1RAB9AALDH1A1
SCHEMBL2094984 0.82 NPSR1 (0.48) NPSR1NPC1RAB9AALDH1A1POLB

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 202/4885NR3C2 24/4885NPC1 3130/4885

“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.