SCHEMBL912924

SCHEMBL912924

CNc1ccc(C(C)=O)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.62
AKR1C3 P42330 11/20 0.46
AKR1C2 P52895 11/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HCAR3 P49019 1/20 0.40
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL842209 0.83 CA1 (0.58) PRKCIAKR1C3AKR1C2NPC1RAB9A
SCHEMBL20630760 0.82 PRKCI (0.69) PRKCIAKR1C3AKR1C2NPC1RAB9A
SCHEMBL9624564 0.79 SMN1; SMN2 (0.53) PRKCIAKR1C3AKR1C2NPC1RAB9A
SCHEMBL28385567 0.78 PRKCI (0.65) PRKCIAKR1C3AKR1C2ALDH1A1AKR1B10
SCHEMBL1108312 0.78 PRKCI (0.65) PRKCIAKR1C3AKR1C2NPC1RAB9A
SCHEMBL15075228 0.78 PRKCI (0.65) PRKCIAKR1C3AKR1C2NPC1RAB9A
SCHEMBL3022646 0.77 MAPT (0.47) PRKCIAKR1C3AKR1C2NPC1RAB9A
SCHEMBL16281303 0.77 PRKCI (0.62) PRKCIAKR1C3AKR1C2NPC1RAB9A
SCHEMBL2245773 0.77 PRKCI (1.00) PRKCIAKR1C3AKR1C2NPC1RAB9A
SCHEMBL913429 0.76 L3MBTL1 (0.46) PRKCIAKR1C3AKR1C2NPC1RAB9A

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 12 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
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
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
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-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
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 PRKCI 3954/4885AKR1C3 4382/4885AKR1C2 4391/4885
US-20140341812-A1 BETA-AMYLOID PET IMAGING AGENTS APP, BACE1, PSEN1 PRKCI 3954/4885AKR1C3 4382/4885AKR1C2 4391/4885

“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.