SCHEMBL4852834

SCHEMBL4852834

CCCCN1C(=O)C=C(Br)C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.47
MGLL Q99685 5/20 0.46
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
FAAH O00519 3/20 0.46
CNR1 P21554 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37
CES1 P23141 2/20 0.36
CDC25A P30304 1/20 0.36
CYP19A1 P11511 1/20 0.36
HSP90AA1 P07900 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL3469706 0.88 RGS4 (0.50) RGS4MGLLPTGS1PTGS2FAAH
SCHEMBL4855647 0.83 RGS4 (0.41) RGS4MGLLPTGS1PTGS2FAAH
SCHEMBL3470129 0.79 RGS4 (0.53) RGS4MGLLCNR1SMN1; SMN2ALDH1A1
SCHEMBL27504237 0.78 MGLL (0.47) MGLLPTGS1PTGS2FAAHSMN1; SMN2
SCHEMBL7761775 0.78 MGLL (0.47) MGLLPTGS1PTGS2FAAHSMN1; SMN2
SCHEMBL18942761 0.78 RGS4 (0.45) RGS4MGLLPTGS1PTGS2FAAH
SCHEMBL19886759 0.77 MGLL (0.46) MGLLPTGS1PTGS2FAAHSMN1; SMN2
SCHEMBL16285211 0.76 PTGS1 (0.42) RGS4MGLLPTGS1PTGS2FAAH
SCHEMBL4852057 0.76 RGS4 (0.50) RGS4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4850588 0.76 RGS4 (0.46) RGS4MGLLSMN1; SMN2NPC1RAB9A

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 4 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
EP-1664055-B9 9-AMINO-PODOPHYLLOTOXIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SERVIER LAB (FR) 2007-10-10 EP disclosed
EP-1664055-B1 9-AMINO-PODOPHYLLOTOXIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SERVIER LAB (FR) 2006-12-13 EP 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 RGS4 3547/4885MGLL 2313/4885PTGS1 2730/4885

“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.