SCHEMBL4311546

SCHEMBL4311546

O=C(O)[C@H](Cn1ccc(=O)[nH]c1=O)NBr

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUT P33316 13/20 0.50
PKM P14618 1/20 0.49
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
CRBN Q96SW2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 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
SCHEMBL5001166 0.87 DUT (0.51) DUTPKMALDH1A1LMNACRBN
(S)-Willardiine SCHEMBL401191 0.77 GRIA1 (0.56) DUTPKMALDH1A1LMNAKDM4E
(S)-Willardiine SCHEMBL438494 0.77 GRIA1 (0.56) DUTPKMALDH1A1LMNAKDM4E
SCHEMBL24115349 0.77 PKM (0.52) DUTPKMALDH1A1LMNACRBN
SCHEMBL3635924 0.75 DUT (0.57) DUTPKMALDH1A1LMNACRBN
SCHEMBL23873265 0.74 PKM (0.60) DUTPKMALDH1A1LMNACRBN
SCHEMBL294648 0.71 ALDH1A1 (0.49) DUTPKMALDH1A1LMNACRBN
SCHEMBL7133033 0.71 PKM (0.65) DUTPKMALDH1A1LMNACRBN
SCHEMBL2899640 0.71 ALDH1A1 (0.59) DUTPKMALDH1A1LMNAKDM4E
SCHEMBL26916421 0.71 PKM (0.60) DUTPKMALDH1A1LMNACRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
WO-2022138943-A1 PRODUCTION METHOD FOR NON-HUMAN MODEL ANIMAL WITH MENTAL DISORDER OR NEUROLOGICAL DISORDER, SAID NON-HUMAN MODEL ANIMAL, AND METHOD FOR SCREENING FOR PROPHYLACTIC OR THERAPEUTIC AGENT FOR SAID MENTAL DISORDER OR NEUROLOGICAL DISORDER 公立大学法人横浜市立大学 2022-06-30 WO disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
WO-2018204764-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION (US) 2018-11-08 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed