SCHEMBL6104087

SCHEMBL6104087

CN1CCCc2cc(Br)cc(C=O)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 1/20 0.44
ERN1 O75460 4/20 0.35
NPSR1 Q6W5P4 1/20 0.34
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
POLB P06746 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9675977 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL6104753 0.80 EIF2AK2 (0.37) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL6104750 0.80 EIF2AK2 (0.37) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL6103237 0.80 NPSR1 (0.38) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL6103232 0.80 NPSR1 (0.38) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL22004779 0.76 NOTUM (0.38) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL5940272 0.71 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL17261841 0.69 ERN1 (0.41) MEN1KMT2AERN1
SCHEMBL31602976 0.69 ERN1 (0.41) MEN1KMT2AERN1
SCHEMBL22858936 0.69 MAOA (0.37) ERN1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160864-A1 Acrylamide derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-20 US disclosed
EP-1593673-A1 ACRYLAMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP 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-20060160864-A1 Acrylamide derivative, process for producing the same, and use CCR5, MSR1, CCR2 ALDH1A1 1414/4885MEN1 4127/4885KMT2A 1963/4885

“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.