SCHEMBL14735211

SCHEMBL14735211

O=C1C(=Cc2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2cc(O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
HASPIN Q8TF76 1/20 0.56
TYR P14679 4/20 0.52
PIK3CA P42336 5/20 0.51
MTOR P42345 5/20 0.51
PIK3CG P48736 3/20 0.51
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
CISD1 Q9NZ45 1/20 0.50
PTGS2 P35354 1/20 0.45
RECQL P46063 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PSMD14 O00487 1/20 0.45
AURKA O14965 1/20 0.45
NPC1 O15118 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45

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
SCHEMBL14735209 1.00 MEN1 (0.63) MEN1KMT2AHASPINTYRPIK3CA
SCHEMBL4331704 0.85 PIK3CA (0.71) TYRPIK3CAMTORPIK3CGCDK5
SCHEMBL1429340 0.85 PIK3CA (0.71) TYRPIK3CAMTORPIK3CGCDK5
SCHEMBL4324811 0.83 PIK3CA (0.72) MEN1KMT2AHASPINTYRPIK3CA
SCHEMBL1428596 0.83 PIK3CA (0.72) MEN1KMT2AHASPINTYRPIK3CA
SCHEMBL14735399 0.82 PIK3CA (0.70) MEN1KMT2AHASPINTYRPIK3CA
SCHEMBL6964349 0.82 PIK3CA (0.70) MEN1KMT2AHASPINTYRPIK3CA
SCHEMBL29516892 0.82 PIK3CA (0.70) MEN1KMT2AHASPINTYRPIK3CA
SCHEMBL29516830 0.82 PIK3CA (0.70) MEN1KMT2AHASPINTYRPIK3CA
SCHEMBL30705810 0.81 MEN1 (0.71) MEN1KMT2ATYRMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 EP 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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 MEN1 2639/4885KMT2A 576/4885HASPIN 316/4885

“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.