SCHEMBL678910

SCHEMBL678910

COc1cccc(C2Nc3ccc(C(=O)O)cc3C3C=CCC32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.74
TDP1 Q9NUW8 1/20 0.74
NR4A1 P22736 1/20 0.68
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
KDM4E B2RXH2 4/20 0.68
ALDH1A1 P00352 4/20 0.66
POLB P06746 4/20 0.66
PLA2G1B P04054 2/20 0.66
ATG4B Q9Y4P1 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
P4HB P07237 1/20 0.66
DNMT1 P26358 1/20 0.66
BCL2L1 Q07817 1/20 0.66
MCL1 Q07820 1/20 0.66
SAE1 Q9UBE0 1/20 0.66
UBA2 Q9UBT2 1/20 0.66
ALOX12 P18054 1/20 0.63
HTT P42858 1/20 0.63
AR P10275 2/20 0.62

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
SCHEMBL10285775 1.00 MAPT (0.74) MAPTTDP1NR4A1MEN1KMT2A
SCHEMBL677473 0.93 MAPT (0.63) MAPTTDP1NR4A1MEN1KMT2A
SCHEMBL15300175 0.87 MAPT (0.78) MAPTTDP1NR4A1MEN1KMT2A
SCHEMBL23949811 0.86 MAPT (0.81) MAPTTDP1NR4A1MEN1KMT2A
SCHEMBL681674 0.86 MAPT (0.81) MAPTTDP1NR4A1MEN1KMT2A
SCHEMBL23949922 0.85 NR4A1 (0.72) MAPTTDP1NR4A1MEN1KMT2A
SCHEMBL15321272 0.84 MAPT (0.77) MAPTTDP1NR4A1MEN1KMT2A
SCHEMBL15321544 0.84 MAPT (0.77) MAPTTDP1NR4A1MEN1KMT2A
SCHEMBL15300248 0.83 MAPT (0.75) MAPTTDP1MEN1KMT2AKDM4E
SCHEMBL686171 0.82 AR (0.84) MAPTTDP1NR4A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
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
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 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 (3 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 MAPT 4872/4885TDP1 3880/4885NR4A1 4838/4885
US-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 MAPT 2660/4885TDP1 4075/4885NR4A1 3007/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 MAPT 4872/4885TDP1 3880/4885NR4A1 4838/4885

“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.