SCHEMBL2691444

SCHEMBL2691444

CC(C)(C)OC(=O)NCCCCCOc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.60
▸ CA1 P00915 6/20 0.60
▸ CA2 P00918 6/20 0.60
▸ CA9 Q16790 6/20 0.60
▸ MGLL Q99685 2/20 0.45
▸ BCHE P06276 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ SUCNR1 Q9BXA5 3/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BRD4 O60885 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
SCHEMBL1005270 0.85 CA12 (0.65) CA12CA1CA2CA9TDP1
SCHEMBL1004191 0.84 MEN1 (0.48) MGLLMAPTMEN1KMT2A
SCHEMBL25987718 0.83 CA12 (0.67) CA12CA1CA2CA9MGLL
SCHEMBL25718686 0.83 CA12 (0.56) CA12CA1CA2CA9MGLL
SCHEMBL30448507 0.83 CA12 (0.56) CA12CA1CA2CA9MGLL
SCHEMBL13306449 0.82 CA12 (0.58) CA12CA1CA2CA9BCHE
SCHEMBL25718483 0.81 CA12 (0.56) CA12CA1CA2CA9MAPT
SCHEMBL20982626 0.81 MAPT (0.48) MAPTTDP1MEN1KMT2A
SCHEMBL21460898 0.81 CA12 (0.56) CA12CA1CA2CA9MGLL
SCHEMBL21017935 0.81 CA1 (0.64) CA12CA1CA2CA9TDP1

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-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-05-03 — — US disclosed
US-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-05-03 — — US disclosed
WO-2011005609-A2 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-01-13 — — 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-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY SLC10A2, KCNN3, KCNN2 CA12 824/4885CA1 166/4885CA2 163/4885

“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.

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