SCHEMBL4182007

SCHEMBL4182007

O=C1CCCN1CCCNc1ncccc1N1CSC(N(C2=CC=CCC2)C2=COC=CO2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.34
KDM4E B2RXH2 5/20 0.34
HSD17B10 Q99714 4/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 3/20 0.34
PGK1 P00558 1/20 0.32
MKNK1 Q9BUB5 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32
BTK Q06187 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
ADORA1 P30542 1/20 0.31
AKT1 P31749 1/20 0.31
TSHR P16473 1/20 0.30
TYRO3 Q06418 2/20 0.30
CASP1 P29466 1/20 0.30
CASP3 P42574 1/20 0.30
CASP8 Q14790 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
SCHEMBL4175666 0.77 MALT1 (0.34) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL4508212 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL4176965 0.61 MALT1 (0.39) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL11969158 0.59
SCHEMBL5929386 0.56 MALT1 (0.64) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL21567267 0.53 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL6517410 0.53 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL3774568 0.53 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL5100437 0.52 MKNK1 (0.60) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL3337053 0.52 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10LMNAHPGD

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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL ALDH1A1 535/4885KDM4E 2144/4885HSD17B10 1779/4885

“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.