SCHEMBL16299579

SCHEMBL16299579

CNC(C)(C)C(=O)N[C@@H](CCCNC(N)N)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.32
▸ F2 P00734 2/20 0.30
▸ SIRT5 Q9NXA8 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
SCHEMBL10064609 0.87 NOD1 (0.34) NOD1SIRT5
SCHEMBL2742864 0.82 NPY4R (0.38) SIRT5
SCHEMBL8261480 0.79 SIRT5 (0.44) NOD1SIRT5
SCHEMBL14295763 0.78 NOD1 (0.33) NOD1SIRT5
SCHEMBL14951121 0.78 NOD1 (0.32) NOD1
SCHEMBL25148125 0.77 C3AR1 (0.35) SIRT5
SCHEMBL24756979 0.73 TLR2 (0.40) NOD1SIRT5
SCHEMBL14951733 0.73 GNPAT (0.34) NOD1F2
SCHEMBL468949 0.72 KISS1R (0.36) NOD1
SCHEMBL17521511 0.71 SIRT5 (0.45) NOD1SIRT5

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-20120015936-A1 SUBSTITUTED TETRAHYDRONAPHTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI (FR) 2012-01-19 — — 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-20120015936-A1 SUBSTITUTED TETRAHYDRONAPHTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS PAH, MCHR1, DHPS NOD1 3025/4885F2 3768/4885SIRT5 917/4885

“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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