SCHEMBL21553922

SCHEMBL21553922

CN(CCCC(=O)O)C[C@H]1OC(n2cnc3c(NC(=O)CCNC(=O)CCCCC4SC[C@@H]5NC(=O)N[C@H]45)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 1/20 0.56
HLCS P50747 3/20 0.51
DOT1L Q8TEK3 3/20 0.44

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
SCHEMBL21528351 0.97 HINT1 (0.55) HINT1HLCSDOT1L
SCHEMBL21553923 0.96 HINT1 (0.59) HINT1HLCS
SCHEMBL18130974 0.87 HINT1 (0.53) HINT1HLCS
SCHEMBL21553924 0.87 HINT1 (0.49) HINT1HLCS
SCHEMBL21553888 0.86 HINT1 (0.49) HINT1HLCSDOT1L
SCHEMBL21528356 0.83 HINT1 (0.50) HINT1HLCS
SCHEMBL21553970 0.83 DOT1L (0.58) HINT1DOT1L
SCHEMBL18137735 0.82 DOT1L (0.53) DOT1L
SCHEMBL1101052 0.82 HINT1 (0.63) HINT1HLCS
SCHEMBL21553884 0.80 DOT1L (0.59) HINT1DOT1L

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-20190339283-A1 BIOCONJUGATES OF HETEROCYCLIC COMPOUNDS HAO, XIUJUAN 2019-11-07 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-20190339283-A1 BIOCONJUGATES OF HETEROCYCLIC COMPOUNDS AHCY, MMAB, ESD HINT1 244/4885HLCS 59/4885DOT1L 2494/4885

“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.