SCHEMBL1616233

SCHEMBL1616233

CN(C)/C=C1/CCCC(c2ccccn2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 6/20 0.38
KMT2A Q03164 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMARCA4 P51532 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
ALOX12 P18054 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.35
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
PKM P14618 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
XBP1 P17861 1/20 0.33
PIK3C3 Q8NEB9 2/20 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
SCHEMBL1616234 1.00 DDB1 (0.44) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL3664235 0.94 ALDH1A1 (0.44) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL1728292 0.83 SMARCA4 (0.33) KDM4EKMT2ASMARCA4MEN1PBRM1
SCHEMBL1728290 0.83 SMARCA4 (0.33) KDM4EKMT2ASMARCA4MEN1PBRM1
SCHEMBL1617137 0.79 MAP1LC3B (0.44) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL9877946 0.77 DDB1 (0.53) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL4963182 0.77 DDB1 (0.55) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL1617884 0.73 DDB1 (0.39) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL30853698 0.72 ALDH1A1 (0.60) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL30853687 0.72 ALDH1A1 (0.60) DDB1CRBNALDH1A1KDM4EMAPT

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-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 DDB1 1077/4885CRBN 375/4885ALDH1A1 3574/4885

“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.