SCHEMBL13079812

SCHEMBL13079812

COC(=O)C(C)NC(=O)CCCCCNC(=O)C(N)CCCCN

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.59
▸ GNAO1 P09471 1/20 0.59
▸ GNAI1 P63096 1/20 0.59
▸ RRM1 P23921 1/20 0.48
▸ NMT2 O60551 2/20 0.47
▸ NMT1 P30419 2/20 0.47
▸ DPP7 Q9UHL4 2/20 0.46
▸ NOD1 Q9Y239 1/20 0.45
▸ TLR2 O60603 4/20 0.44
▸ FNTA P49354 2/20 0.43
▸ FNTB P49356 2/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ PGGT1B P53609 1/20 0.42
▸ NOS1 P29475 1/20 0.41
▸ TERT O14746 2/20 0.41
▸ CD40 P25942 1/20 0.40

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
SCHEMBL13079511 0.84 GNAI3 (0.54) GNAI3GNAO1GNAI1RRM1NMT2
SCHEMBL22930819 0.81 GNAI3 (0.59) GNAI3GNAO1GNAI1RRM1NMT2
SCHEMBL13079191 0.80 DPP8 (0.51) GNAI3GNAO1GNAI1DPP7TLR2
SCHEMBL29399779 0.80 DPP8 (0.51) GNAI3GNAO1GNAI1DPP7TLR2
SCHEMBL13311473 0.80 NMT1 (0.64) GNAI3GNAO1GNAI1RRM1NMT2
SCHEMBL13636959 0.79 GNAI3 (0.54) GNAI3GNAO1GNAI1RRM1NMT2
SCHEMBL18031023 0.79 BIRC2 (0.42) NMT2NMT1
SCHEMBL7565869 0.79 NOD1 (0.65) GNAI3GNAO1GNAI1RRM1NMT2
SCHEMBL18059234 0.79 GNAI3 (0.69) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL31633172 0.79 GNAI3 (0.84) GNAI3GNAO1GNAI1RRM1DPP7

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-8338643-B2 Reagent for introduction of protein or gene WASEDA UNIVERSITY (JP) 2012-12-25 — — US disclosed
US-20100291672-A1 REAGENT FOR INTRODUCTION OF PROTEIN OR GENE WASEDA UNIVERSITY (JP) 2010-11-18 — — 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-20100291672-A1 REAGENT FOR INTRODUCTION OF PROTEIN OR GENE C1S, SGMS1, CERT1 GNAI3 3465/4885GNAO1 2905/4885GNAI1 1693/4885

“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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