SCHEMBL913429

SCHEMBL913429

CC(=O)c1ccc(NC(=O)C(F)(F)F)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PRKCI P41743 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA9 Q16790 1/20 0.41
NOTUM Q6P988 1/20 0.41
AKR1C3 P42330 5/20 0.41
AKR1C2 P52895 5/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL30254315 0.83 L3MBTL1 (0.60) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL23885115 0.83 L3MBTL1 (0.60) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL913000 0.83 ABCC9 (0.52) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL912855 0.82 GSK3B (0.45) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL842209 0.82 CA1 (0.58) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL27010697 0.81 RAB9A (0.55) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15072456 0.80 NPC1 (0.47) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL13872957 0.79 L3MBTL1 (0.47) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL29679686 0.78 NPSR1 (0.55) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL5788197 0.78 NPSR1 (0.55) PDK1PDK2PDK3PDK4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2808020-A1 Beta-Amyloid Pet Imaging Agents The Government Of The United States, As Represented by The Secretary Of Health And Human Services (US) 2014-12-03 EP disclosed
US-20140341812-A1 BETA-AMYLOID PET IMAGING AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-11-20 US disclosed
EP-2021340-B1 BETA-AMYLOID PET IMAGING AGENTS US GOVERNMENT (US) 2014-07-23 EP disclosed
US-8703096-B2 Beta-amyloid PET imaging agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-04-22 US disclosed
US-20110008255-A1 BETA-AMYLOID PET IMAGING AGENTS THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-01-13 US disclosed
EP-2021340-A2 BETA-AMYLOID PET IMAGING AGENTS The Government Of The United States, As Represented by The Secretary Of Health And Human Services (US) 2009-02-11 EP disclosed
WO-2007124345-A2 BETA-AMYLOID PET IMAGING AGENTS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) 2007-11-01 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-20110008255-A1 BETA-AMYLOID PET IMAGING AGENTS APP, BACE1, PSEN1 L3MBTL1 1687/4885PDK1 2580/4885PDK2 1179/4885
US-20140341812-A1 BETA-AMYLOID PET IMAGING AGENTS APP, BACE1, PSEN1 L3MBTL1 1687/4885PDK1 2580/4885PDK2 1179/4885

“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.