SCHEMBL6010744

SCHEMBL6010744

O=C(OCc1ccc(C(F)(F)F)cc1)N1CCN(C[C@H]2Cn3cc([N+](=O)[O-])nc3O2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
ENPP2 Q13822 5/20 0.38
ATXN2 Q99700 3/20 0.38
SLC2A1 P11166 1/20 0.35
KCNH2 Q12809 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MCL1 Q07820 1/20 0.34
CETP P11597 1/20 0.34
ALKBH5 Q6P6C2 2/20 0.33
TGM2 P21980 1/20 0.33

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
SCHEMBL5542598 1.00 CHRM1 (0.44) CHRM1ENPP2ATXN2SLC2A1KCNH2
SCHEMBL5543317 0.85 CHRM1 (0.43) CHRM1ALDH1A1NPSR1KDM4ETGM2
SCHEMBL5543324 0.85 CHRM1 (0.43) CHRM1ALDH1A1NPSR1KDM4ETGM2
SCHEMBL5544155 0.85 CHRM1 (0.43) CHRM1ALDH1A1NPSR1KDM4ETGM2
SCHEMBL5540981 0.82 ENPP2 (0.40) CHRM1ENPP2KCNH2
SCHEMBL5540976 0.82 ENPP2 (0.40) CHRM1ENPP2KCNH2
SCHEMBL6010758 0.80 CHRM1 (0.38) CHRM1SLC2A1KCNH2ALDH1A1TGM2
SCHEMBL6010751 0.80 CHRM1 (0.38) CHRM1SLC2A1KCNH2ALDH1A1TGM2
SCHEMBL6010853 0.80 ALDH1A1 (0.41) CHRM1KCNH2ALDH1A1MAPT
SCHEMBL6010762 0.80 ALDH1A1 (0.41) CHRM1KCNH2ALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CHRM1 463/4885ENPP2 2915/4885ATXN2 3603/4885

“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.