SCHEMBL26317892

SCHEMBL26317892

COc1ccnc2ccc(N3CCC(C)(C)CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
DOT1L Q8TEK3 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
NCF1 P14598 2/20 0.40
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
PDE10A Q9Y233 1/20 0.39
IP6K1 Q92551 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ACHE P22303 2/20 0.38
BACE1 P56817 2/20 0.38
MAP4K4 O95819 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL26318330 0.90 ALDH1A1 (0.40) ALDH1A1DOT1LGAAMEN1KMT2A
SCHEMBL24003935 0.88 WHR1 (0.44) ALDH1A1DOT1LGAAMEN1KMT2A
SCHEMBL25491134 0.86 ALDH1A1 (0.56) ALDH1A1DOT1LGAAMEN1KMT2A
SCHEMBL24006371 0.86 ALDH1A1 (0.52) ALDH1A1DOT1LGAAMEN1KMT2A
SCHEMBL26329737 0.86 DOT1L (0.39) ALDH1A1DOT1LGAAMEN1KMT2A
SCHEMBL26329742 0.85 DOT1L (0.39) ALDH1A1DOT1LGAAMEN1KMT2A
SCHEMBL25831270 0.85 ALDH1A1 (0.55) ALDH1A1DOT1LGAAMEN1KMT2A
SCHEMBL24005893 0.82 CCNC (0.55) ALDH1A1MEN1KMT2ACCNCCDK8
SCHEMBL25828395 0.82 NCF1 (0.60) ALDH1A1NCF1
SCHEMBL26317877 0.81 DOT1L (0.38) ALDH1A1DOT1LGAAMEN1KMT2A

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR ALDH1A1 4544/4885DOT1L 3878/4885GAA 829/4885

“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.