SCHEMBL3706421

SCHEMBL3706421

O=C(CN1C(=O)C(O)c2cc(Br)ccc21)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 7/20 0.50
CDY1; CDY1B Q9Y6F8 5/20 0.50
CBX7 O95931 5/20 0.50
CDYL2 Q8N8U2 5/20 0.50
PTPN1 P18031 1/20 0.44
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ACHE P22303 1/20 0.40
JAK2 O60674 1/20 0.40
MAPT P10636 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL18825258 0.69 SMN1; SMN2 (0.63) CDYLCDY1; CDY1BCBX7CDYL2PTPN1
SCHEMBL29236557 0.69 GSK3B (0.63) CDYLCDY1; CDY1BCBX7CDYL2PTPN1
SCHEMBL19673997 0.64 CA12 (0.49) ALDH1A1KDM4ECA12CA9MEN1
SCHEMBL29411099 0.63 PTPN1 (1.00) PTPN1GSK3BALDH1A1KDM4EHPGD
SCHEMBL220588 0.63 PTPN1 (1.00) PTPN1GSK3BALDH1A1KDM4EHPGD
SCHEMBL29489791 0.63 PTPN1 (0.71) PTPN1ALDH1A1LMNAKDM4EHPGD
SCHEMBL1974978 0.63 PTPN1 (0.71) PTPN1ALDH1A1LMNAKDM4EHPGD
SCHEMBL12532276 0.63 PTPN1 (0.53) CDYLCDY1; CDY1BCBX7CDYL2PTPN1
SCHEMBL203507 0.62 PTPN1 (0.70) CDYLCDY1; CDY1BCBX7CDYL2PTPN1
SCHEMBL2561428 0.62 PTPN1 (0.65) PTPN1ALDH1A1LMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710068-B2 Method of treating cancer using a survivin inhibitor THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-04-29 US disclosed
US-20120122910-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-05-17 US disclosed
WO-2010083505-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-22 WO 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-20120122910-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR BIRC5, CDC20, CCNB1 CDYL 2304/4885CDY1; CDY1B 3538/4885CBX7 2029/4885

“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.