SCHEMBL23328663

SCHEMBL23328663

CC(N)c1nn(C)c2c1CCCC2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
GRM5 P41594 1/20 0.33
SSTR4 P31391 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL17051109 0.85 POLB (0.36) POLBCYP1A2GAAGRM5SSTR4
SCHEMBL20866435 0.81 SSTR4 (0.33) POLBCYP1A2GAAGRM5SSTR4
SCHEMBL24249763 0.81 RAB9A (0.33) POLBCYP1A2GAAGRM5SSTR4
SCHEMBL15730560 0.79 SSTR4 (0.35) POLBCYP1A2GAAGRM5SSTR4
SCHEMBL19176830 0.79 RAB9A (0.33) POLBCYP1A2GAAGRM5SSTR4
SCHEMBL22593916 0.75 RAB9A (0.34) POLBCYP1A2MAPTBRD4LMNA
SCHEMBL20430541 0.75 POLB (0.37) POLBCYP1A2GAAGRM5SSTR4
SCHEMBL20866495 0.73 RAB9A (0.36) POLBCYP1A2MAPTLMNA
SCHEMBL17045335 0.72 POLB (0.38) POLBCYP1A2GAAGRM5SSTR4
SCHEMBL14752431 0.72 PARP1 (0.42) POLBCYP1A2GAAGRM5SSTR4

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-20210130401-A1 PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION UNIV MICHIGAN REGENTS (US) 2021-05-06 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-20210130401-A1 PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION WDR5, MLLT1, WDR1 POLB 3071/4885CYP1A2 4670/4885GAA 4571/4885

“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.