SCHEMBL681674

SCHEMBL681674

O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.81
MEN1 O00255 5/20 0.81
KMT2A Q03164 5/20 0.81
KDM4E B2RXH2 3/20 0.81
GRK6 P43250 1/20 0.75
NR4A1 P22736 1/20 0.74
AR P10275 2/20 0.73
ESR1 P03372 1/20 0.72
PABPC1 P11940 1/20 0.72
PLK1 P53350 1/20 0.72
MASP2 O00187 1/20 0.68
HSPA1A P0DMV8 1/20 0.68
CD44 P16070 1/20 0.68
PTPN1 P18031 1/20 0.68
MSN P26038 1/20 0.68
CDC25B P30305 1/20 0.68
AKT1 P31749 1/20 0.68
PTPN7 P35236 1/20 0.68
EZH2 Q15910 1/20 0.68
ALDH1A1 P00352 4/20 0.65

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
SCHEMBL23949811 1.00 MAPT (0.81) MAPTMEN1KMT2AKDM4EGRK6
SCHEMBL14582287 0.91 KMT2A (0.80) MAPTMEN1KMT2AKDM4EGRK6
SCHEMBL17464587 0.90 MAPT (0.76) MAPTMEN1KMT2AKDM4EGRK6
SCHEMBL23950052 0.90 MAPT (0.76) MAPTMEN1KMT2AKDM4EGRK6
SCHEMBL17458830 0.90 MAPT (0.76) MAPTMEN1KMT2AKDM4EGRK6
SCHEMBL23949812 0.90 MAPT (0.76) MAPTMEN1KMT2AKDM4EGRK6
SCHEMBL23949489 0.90 MAPT (0.76) MAPTMEN1KMT2AKDM4EGRK6
SCHEMBL23949922 0.89 NR4A1 (0.72) MAPTMEN1KMT2AKDM4EGRK6
SCHEMBL15300108 0.88 GRK6 (0.74) MAPTMEN1KMT2AKDM4EGRK6
SCHEMBL13601355 0.88 AR (0.79) MAPTMEN1KMT2AKDM4EGRK6

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-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-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 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 (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 MAPT 4872/4885MEN1 3097/4885KMT2A 4847/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 MAPT 4872/4885MEN1 3097/4885KMT2A 4847/4885

“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.