SCHEMBL13382183

SCHEMBL13382183

CCN(Cc1nccn1CC(OC)OC)Cc1nccn1CC(OC)OC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RAB9A P51151 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL16213757 0.84 RAB9A (0.39) MEN1ALDH1A1KMT2ARAB9AL3MBTL1
SCHEMBL13377490 0.81 HPGD (0.32) HPGD
SCHEMBL12977550 0.79 PTGS2 (0.36) ALDH1A1
SCHEMBL12977543 0.76 ADRA2C (0.37) MEN1ALDH1A1KMT2AL3MBTL1HPGD
SCHEMBL15501032 0.74 ARG1 (0.33) —
SCHEMBL13287496 0.73 TLR8 (0.37) MEN1ALDH1A1KMT2ARAB9AL3MBTL1
SCHEMBL1046977 0.72 HPGD (0.51) MEN1ALDH1A1KMT2AL3MBTL1HPGD
SCHEMBL12977563 0.72 PTGS2 (0.37) ALDH1A1
SCHEMBL11938341 0.71 FPR2 (0.43) —
SCHEMBL15834887 0.70 HPGD (0.37) MEN1ALDH1A1KMT2AHPGD

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-20100098633-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-04-22 — — 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-20100098633-A1 SELECTIVE SEPRASE INHIBITORS SLC6A7, DNPEP, PREP MEN1 2705/4885ALDH1A1 2968/4885KMT2A 2165/4885

“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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