SCHEMBL678825

SCHEMBL678825

O=C1c2ccccc2-c2ccccc21.[Pb]

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.86
KMT2A Q03164 3/20 0.86
CDC25B P30305 2/20 0.86
MAOA P21397 4/20 0.80
S100A4 P26447 3/20 0.80
TDP2 O95551 3/20 0.80
RAB9A P51151 3/20 0.80
SMN1; SMN2 Q16637 3/20 0.80
MAPT P10636 3/20 0.80
APAF1 O14727 2/20 0.80
KDM4E B2RXH2 2/20 0.80
LMNA P02545 2/20 0.80
POLB P06746 2/20 0.80
BLM P54132 2/20 0.80
NPC1 O15118 2/20 0.80
PLA2G1B P04054 2/20 0.80
MAPK1 P28482 2/20 0.80
ATG4B Q9Y4P1 2/20 0.80
PTPRC P08575 2/20 0.80
CES2 O00748 1/20 0.80

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
SCHEMBL31884 0.96 MEN1 (0.92) MEN1KMT2ACDC25BMAOAS100A4
SCHEMBL29378679 0.96 MEN1 (0.92) MEN1KMT2ACDC25BMAOAS100A4
SCHEMBL30479684 0.96 MEN1 (0.92) MEN1KMT2ACDC25BMAOAS100A4
SCHEMBL20203661 0.96 MEN1 (0.92) MEN1KMT2ACDC25BMAOAS100A4
9,10-Phenanthrenequinone SCHEMBL11634370 0.93 S100A4 (0.93) MEN1KMT2ACDC25BMAOAS100A4
SCHEMBL29039854 0.93 MEN1 (0.86) MEN1KMT2ACDC25BMAOAS100A4
9,10-Phenanthrenequinone SCHEMBL29746976 0.93 S100A4 (0.93) MEN1KMT2ACDC25BMAOAS100A4
Water SCHEMBL7789828 0.93 MEN1 (0.86) MEN1KMT2ACDC25BMAOAS100A4
SCHEMBL29009485 0.93 MEN1 (0.86) MEN1KMT2ACDC25BMAOAS100A4
SCHEMBL29615309 0.93 MEN1 (0.86) MEN1KMT2ACDC25BMAOAS100A4

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
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
EP-2166841-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE Mission Pharmacal Company (US) 2010-03-31 EP disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 US disclosed
WO-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 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 (2 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-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase VIP, PDE3B, ADCY5 MEN1 3097/4885KMT2A 4847/4885CDC25B 1347/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 MEN1 3097/4885KMT2A 4847/4885CDC25B 1347/4885

“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.