SCHEMBL2090779

SCHEMBL2090779

O=C(OCc1ccc(C(F)(F)F)cc1)N1CCC[N]CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.48
ATXN2 Q99700 3/20 0.48
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
GRIN2B Q13224 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CETP P11597 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MMP12 P39900 2/20 0.40
MMP1 P03956 1/20 0.40
PREP P48147 1/20 0.40
LIPE Q05469 1/20 0.40
MAPT P10636 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
SCHEMBL542677 0.88 MEN1 (0.53) ENPP2ATXN2HPGDSMN1; SMN2HRH3
SCHEMBL543231 0.87 MEN1 (0.55) ENPP2ATXN2HPGDSMN1; SMN2HRH3
SCHEMBL2093190 0.85 ENPP2 (0.50) ENPP2ATXN2SMN1; SMN2HRH3
SCHEMBL2092511 0.83 SMN1; SMN2 (0.44) HPGDSMN1; SMN2HRH3MEN1KMT2A
SCHEMBL2099149 0.83 ENPP2 (0.46) ENPP2ATXN2HPGDSMN1; SMN2MEN1
SCHEMBL2097232 0.83 GRIN2B (0.54) SMN1; SMN2MEN1KMT2AGRIN2BNPSR1
SCHEMBL2093890 0.83 MEN1 (0.44) SMN1; SMN2HRH3MEN1KMT2AGRIN2B
SCHEMBL5542597 0.83 MEN1 (0.59) SMN1; SMN2MEN1KMT2AGRIN2BNPSR1
SCHEMBL2093956 0.81 GRIN2B (0.53) HPGDSMN1; SMN2HRH3MEN1KMT2A
SCHEMBL5537108 0.79 ENPP2 (0.49) ENPP2ATXN2HPGDSMN1; SMN2HRH3

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 ENPP2 1640/4885ATXN2 3250/4885HPGD 1951/4885

“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.