SCHEMBL25062575

SCHEMBL25062575

CCCCNC(=O)[C@H](CCCCN)NC(=O)CCCN1C(=O)C=CC1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.53
▸ SIRT1 Q96EB6 1/20 0.53
▸ TLR2 O60603 2/20 0.50
▸ NMT2 O60551 2/20 0.49
▸ NMT1 P30419 2/20 0.49
▸ CHRND Q07001 6/20 0.47
▸ CHRNA1 P02708 2/20 0.47
▸ CHRNG P07510 2/20 0.47
▸ CHRNB1 P11230 2/20 0.47
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ GRIA1 P42261 5/20 0.46

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
SCHEMBL25062576 0.90 NMT1 (0.48) SIRT6SIRT1TLR2NMT2NMT1
SCHEMBL25062579 0.90 NMT1 (0.46) SIRT6SIRT1TLR2NMT2NMT1
SCHEMBL254293 0.86 SIRT6 (0.48) SIRT6SIRT1TLR2NMT2NMT1
SCHEMBL17325767 0.86 SIRT6 (0.48) SIRT6SIRT1TLR2NMT2NMT1
SCHEMBL18893551 0.85 SIRT6 (0.50) SIRT6SIRT1TLR2
SCHEMBL16152402 0.85 GLP1R (0.41) NMT2NMT1
SCHEMBL18932369 0.83 NMT1 (0.47) SIRT6SIRT1TLR2NMT2NMT1
SCHEMBL7996266 0.83 SLC6A5 (0.50) —
SCHEMBL16152399 0.82 ROCK2 (0.48) TLR2NMT2NMT1
SCHEMBL29467596 0.81 GLP1R (0.47) SIRT6SIRT1TLR2NMT2NMT1

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-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-02-23 — — 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-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS BTN3A1, ANTXR2, CLTA SIRT6 4274/4885SIRT1 4799/4885TLR2 976/4885

“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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