SCHEMBL13824401

SCHEMBL13824401

CCCC[C@@H](CN)N=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SGPL1 O95470 4/20 0.32
▸ FDPS P14324 1/20 0.31
▸ DNM1 Q05193 2/20 0.31
▸ OPRM1 P35372 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
SCHEMBL13824276 1.00 ALDH1A1 (0.41) ALDH1A1TDP1SGPL1FDPSDNM1
SCHEMBL27747000 0.86 — —
SCHEMBL16180731 0.82 SGPL1 (0.40) SGPL1FDPSDNM1OPRM1
SCHEMBL23038325 0.82 SGPL1 (0.33) ALDH1A1TDP1SGPL1FDPSDNM1
SCHEMBL16358397 0.80 SGPL1 (0.42) SGPL1FDPSDNM1OPRM1
SCHEMBL14848265 0.77 SGPL1 (0.44) SGPL1FDPSDNM1OPRM1
SCHEMBL13637149 0.77 SGPL1 (0.44) SGPL1FDPSDNM1OPRM1
SCHEMBL28664154 0.77 SGPL1 (0.44) SGPL1FDPSDNM1OPRM1
Hydrochloric Acid SCHEMBL29224660 0.76 — —
SCHEMBL23038570 0.76 SGPL1 (0.39) SGPL1FDPSDNM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 — — US disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 — — 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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP ALDH1A1 1506/4885TDP1 263/4885SGPL1 515/4885

“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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