SCHEMBL914446

SCHEMBL914446

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.41
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDK2 Q15119 1/20 0.35
KIF11 P52732 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
RORC P51449 1/20 0.33
MTOR P42345 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL913433 0.84 GSK3B (0.43) CRHR1NOTUMALDH1A1HSD17B10TSHR
SCHEMBL3917681 0.82 ALDH1A1 (0.50) CRHR1ALDH1A1HSD17B10TSHRNPC1
SCHEMBL12942492 0.76 TACR1 (0.40) ALDH1A1TSHRSMN1; SMN2PDK2MAPT
SCHEMBL17056474 0.70 NOTUM (0.68) CRHR1NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL3168576 0.70 MAPT (0.61) CRHR1ALDH1A1HSD17B10TSHRNPC1
SCHEMBL14916225 0.69 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRNPC1SMN1; SMN2
SCHEMBL3022646 0.68 MAPT (0.47) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL2094868 0.68 MAPT (0.59) NOTUMALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30629086 0.68 HCAR3 (0.56) ALDH1A1HSD17B10TSHRNPC1SMN1; SMN2
SCHEMBL7371749 0.68 HCAR3 (0.56) ALDH1A1HSD17B10TSHRNPC1SMN1; SMN2

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 CRHR1 4770/4885NOTUM 2180/4885ALDH1A1 2276/4885
US-20140341812-A1 BETA-AMYLOID PET IMAGING AGENTS APP, BACE1, PSEN1 CRHR1 4770/4885NOTUM 2180/4885ALDH1A1 2276/4885

“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.