SCHEMBL4852057

SCHEMBL4852057

O=C1C=C(Br)C(=O)N1CCO

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.50
KDM4E B2RXH2 3/20 0.39
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
RGS12 O14924 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PABPC1 P11940 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
AVPR1A P37288 1/20 0.32
BRD4 O60885 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
SCHEMBL3469706 0.79 RGS4 (0.50) RGS4KMT2AMEN1RAB9AALDH1A1
SCHEMBL4852834 0.76 RGS4 (0.47) RGS4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2464170 0.75 KDM4E (0.43) KDM4EHEXAHEXBKMT2AMEN1
SCHEMBL4845878 0.75 RGS4 (0.46) RGS4KDM4EHEXAHEXBKMT2A
SCHEMBL4850588 0.75 RGS4 (0.46) RGS4KMT2AMEN1NPC1RAB9A
SCHEMBL15433041 0.74 PTGS1 (0.57) RGS4KDM4EKMT2AMEN1ALDH1A1
SCHEMBL18925542 0.74 RGS4 (0.42) RGS4KMT2AMEN1RAB9AALDH1A1
SCHEMBL3470129 0.74 RGS4 (0.53) RGS4KMT2AMEN1ALDH1A1LMNA
SCHEMBL4847030 0.73 RGS4 (0.53) RGS4KDM4EKMT2AMEN1ALDH1A1
SCHEMBL4852749 0.73 PTGS1 (0.60) RGS4KDM4EKMT2AMEN1LMNA

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 3547/4885KDM4E 2640/4885HEXA 1185/4885

“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.