SCHEMBL4852749

SCHEMBL4852749

O=C(O)CCCCCCN1C(=O)C=C(Br)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.60
PTGS2 P35354 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.47
RGS4 P49798 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4846116 1.00 PTGS1 (0.60) PTGS1PTGS2SMN1; SMN2RGS4MEN1
SCHEMBL15433041 0.98 PTGS1 (0.57) PTGS1PTGS2SMN1; SMN2RGS4MEN1
SCHEMBL20210376 0.87 PTGS1 (0.44) PTGS1PTGS2SMN1; SMN2RGS4MEN1
SCHEMBL20574477 0.86 RGS4 (0.50) PTGS1PTGS2SMN1; SMN2RGS4MEN1
SCHEMBL16285211 0.86 PTGS1 (0.42) PTGS1PTGS2SMN1; SMN2RGS4MEN1
SCHEMBL18925542 0.85 RGS4 (0.42) PTGS1PTGS2SMN1; SMN2RGS4MEN1
SCHEMBL18941400 0.82 PTGS1 (0.40) PTGS1PTGS2SMN1; SMN2RGS4MEN1
SCHEMBL16283423 0.82 PTGS1 (0.40) PTGS1PTGS2SMN1; SMN2RGS4MEN1
SCHEMBL18942762 0.82 KAT2B (0.45) PTGS1PTGS2SMN1; SMN2RGS4MEN1
SCHEMBL6941602 0.81 PTGS1 (0.60) PTGS1PTGS2SMN1; SMN2MEN1KMT2A

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-7378419-B2 9-amino-podophyllotoxin derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives LES LABORATOIRES SERVIER (FR) 2008-05-27 US disclosed
US-20060247246-A1 9-Amino-podophyllotoxin derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-11-02 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-20060247246-A1 9-Amino-podophyllotoxin derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives SIK2, PTK2B, PLK2 PTGS1 2730/4885PTGS2 1561/4885SMN1; SMN2 4080/4885

“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.