SCHEMBL24499991

SCHEMBL24499991

CCCC(CCC)c1cnn(C(N)=O)c1N

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 3/20 0.32
PDPK1 O15530 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
SCHEMBL22601406 0.78 PDPK1 (0.34) HPGDKMT2APDPK1
SCHEMBL22601495 0.69 GRIA1 (0.38) HPGDKMT2APDPK1
SCHEMBL24500533 0.68 PDPK1 (0.35) HPGDKMT2APDPK1
SCHEMBL23228287 0.66 ASAH1 (0.40)
SCHEMBL534347 0.64 RIPK2 (0.42) HPGDKMT2A
SCHEMBL15417573 0.62 RIPK2 (0.42) HPGDKMT2AACHE
SCHEMBL20755701 0.61 ADORA2A (0.32)
SCHEMBL5399382 0.59 ADA (0.33)
SCHEMBL5875788 0.58 PSEN1 (0.41)
SCHEMBL5416095 0.58 KMO (0.37)

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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) 2022-06-09 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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 HPGD 993/4885KMT2A 3846/4885ACHE 1125/4885

“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.